Daily Papers

We address the long-standing problem of how to learn effective pixel-based image diffusion models at scale, introducing a remarkably simple greedy growing method for stable training of large-scale, high-resolution models. without the needs for cascaded super-resolution components. The key insight stems from careful pre-training of core components, namely, those responsible for text-to-image alignment {\it vs.} high-resolution rendering. We first demonstrate the benefits of scaling a {\it Shallow UNet}, with no down(up)-sampling enc(dec)oder. Scaling its deep core layers is shown to improve alignment, object structure, and composition. Building on this core model, we propose a greedy algorithm that grows the architecture into high-resolution end-to-end models, while preserving the integrity of the pre-trained representation, stabilizing training, and reducing the need for large high-resolution datasets. This enables a single stage model capable of generating high-resolution images without the need of a super-resolution cascade. Our key results rely on public datasets and show that we are able to train non-cascaded models up to 8B parameters with no further regularization schemes. Vermeer, our full pipeline model trained with internal datasets to produce 1024x1024 images, without cascades, is preferred by 44.0% vs. 21.4% human evaluators over SDXL.

We present UNISON, a latent diffusion framework that unifies speech generation, sound generation, and audio editing within a single model. A single model handles text-to-audio, text-to-speech, zero-shot speaker cloning, mixed speech-and-sound generation, scene-level audio editing, speech-in-scene editing, and timed temporal composition, all of which share a single set of weights. Our architecture features two core designs: (1) Layer-wise deep LLM fusion, which injects hidden states from uniformly sampled layers of a frozen MLLM into corresponding MM-DiT blocks via learned projections, providing depth-matched semantic conditioning that improves instruction following over single-layer baselines; and (2) a unified multi-task architecture where task identity is encoded solely by a channel-wise mask and source audio is provided through VAE-encoded channel concatenation. Training is stabilized by an online GPU-side multi-task data synthesis pipeline with task-homogeneous batching and a two-stage curriculum. With 621M--732M trainable parameters, UNISON achieves results competitive with or exceeding task-specialist models across evaluated domains, while being roughly 4times smaller than comparable unified systems.

In this study, we introduce the Multi-Head Explainer (MHEX), a versatile and modular framework that enhances both the explainability and accuracy of Convolutional Neural Networks (CNNs) and Transformer-based models. MHEX consists of three core components: an Attention Gate that dynamically highlights task-relevant features, Deep Supervision that guides early layers to capture fine-grained details pertinent to the target class, and an Equivalent Matrix that unifies refined local and global representations to generate comprehensive saliency maps. Our approach demonstrates superior compatibility, enabling effortless integration into existing residual networks like ResNet and Transformer architectures such as BERT with minimal modifications. Extensive experiments on benchmark datasets in medical imaging and text classification show that MHEX not only improves classification accuracy but also produces highly interpretable and detailed saliency scores.

We introduce DMTet, a deep 3D conditional generative model that can synthesize high-resolution 3D shapes using simple user guides such as coarse voxels. It marries the merits of implicit and explicit 3D representations by leveraging a novel hybrid 3D representation. Compared to the current implicit approaches, which are trained to regress the signed distance values, DMTet directly optimizes for the reconstructed surface, which enables us to synthesize finer geometric details with fewer artifacts. Unlike deep 3D generative models that directly generate explicit representations such as meshes, our model can synthesize shapes with arbitrary topology. The core of DMTet includes a deformable tetrahedral grid that encodes a discretized signed distance function and a differentiable marching tetrahedra layer that converts the implicit signed distance representation to the explicit surface mesh representation. This combination allows joint optimization of the surface geometry and topology as well as generation of the hierarchy of subdivisions using reconstruction and adversarial losses defined explicitly on the surface mesh. Our approach significantly outperforms existing work on conditional shape synthesis from coarse voxel inputs, trained on a dataset of complex 3D animal shapes. Project page: https://nv-tlabs.github.io/DMTet/.

One of the core pillars of efficient deep learning methods is architectural improvements such as the residual/skip connection, which has led to significantly better model convergence and quality. Since then the residual connection has become ubiquitous in not just convolutional neural networks but also transformer-based architectures, the backbone of LLMs. In this paper we introduce Learned Augmented Residual Layer (LAuReL) -- a novel generalization of the canonical residual connection -- with the goal to be an in-situ replacement of the latter while outperforming on both model quality and footprint metrics. Our experiments show that using \laurel can help boost performance for both vision and language models. For example, on the ResNet-50, ImageNet 1K task, it achieves 60% of the gains from adding an extra layer, while only adding 0.003% more parameters, and matches it while adding 2.6times fewer parameters.

Multimodal large language models (MLLMs) commonly inherit the deep, symmetric Transformer backbone designed for unimodal text modeling, and apply the same computation uniformly to image and language tokens. This design overlooks a key modality asymmetry: image and text tokens differ substantially in information density, redundancy, and required reasoning depth. Through a layer-wise analysis of LLaVA-1.5, we observe that vision tokens tend to saturate in the middle layers. Specifically, text-to-image attention decreases from 0.68 at layer 0 to 0.07 by layer 4, and stabilizes near 0.04 after layer 18, whereas text tokens continue to benefit from deep semantic processing. These findings suggest a mismatch between architectural symmetry and depth-asynchronous modality evolution, resulting in redundant visual computation and possible drift in perceptual representations during deep task-specific adaptation. Motivated by this, we propose Dual-Path Vision Token Routing (DPVR), a modality-asymmetric routing framework for efficient MLLMs. Its core instantiation, DPVR-LF (Late-Layer Fusion), routes vision tokens at the saturation point into a one-layer trainable side branch, runs a thirteen-layer text-only forward that skips image positions in the deep stack, and re-fuses the visual and textual streams only at the final layer. With approximately 3% trainable parameters, DPVR-LF preserves competitive multimodal performance on standard benchmarks while reducing visual computation in the deep Transformer stack. The results challenge the conventional assumption that vision tokens must traverse all deep language-model layers, and indicate that a single late fusion layer can be sufficient for maintaining strong perceptual competence in LLaVA-style MLLMs.

We present a novel and practical deep fully convolutional neural network architecture for semantic pixel-wise segmentation termed SegNet. This core trainable segmentation engine consists of an encoder network, a corresponding decoder network followed by a pixel-wise classification layer. The architecture of the encoder network is topologically identical to the 13 convolutional layers in the VGG16 network. The role of the decoder network is to map the low resolution encoder feature maps to full input resolution feature maps for pixel-wise classification. The novelty of SegNet lies is in the manner in which the decoder upsamples its lower resolution input feature map(s). Specifically, the decoder uses pooling indices computed in the max-pooling step of the corresponding encoder to perform non-linear upsampling. This eliminates the need for learning to upsample. The upsampled maps are sparse and are then convolved with trainable filters to produce dense feature maps. We compare our proposed architecture with the widely adopted FCN and also with the well known DeepLab-LargeFOV, DeconvNet architectures. This comparison reveals the memory versus accuracy trade-off involved in achieving good segmentation performance. SegNet was primarily motivated by scene understanding applications. Hence, it is designed to be efficient both in terms of memory and computational time during inference. It is also significantly smaller in the number of trainable parameters than other competing architectures. We also performed a controlled benchmark of SegNet and other architectures on both road scenes and SUN RGB-D indoor scene segmentation tasks. We show that SegNet provides good performance with competitive inference time and more efficient inference memory-wise as compared to other architectures. We also provide a Caffe implementation of SegNet and a web demo at http://mi.eng.cam.ac.uk/projects/segnet/.

Many approximate machine unlearning methods demonstrate strong logit-level forgetting -- such as near-zero accuracy on the forget set -- yet continue to preserve substantial information within their internal feature representations. We refer to this discrepancy as superficial forgetting. Recent studies indicate that most existing unlearning approaches primarily alter the final classifier, leaving intermediate representations largely unchanged and highly similar to those of the original model. To address this limitation, we introduce the Erase at the Core (EC), a framework designed to enforce forgetting throughout the entire network hierarchy. EC integrates multi-layer contrastive unlearning on the forget set with retain set preservation through deeply supervised learning. Concretely, EC attaches auxiliary modules to intermediate layers and applies both contrastive unlearning and cross-entropy losses at each supervision point, with layer-wise weighted losses. Experimental results show that EC not only achieves effective logit-level forgetting, but also substantially reduces representational similarity to the original model across intermediate layers. Furthermore, EC is model-agnostic and can be incorporated as a plug-in module into existing unlearning methods, improving representation-level forgetting while maintaining performance on the retain set.

Enabling On-Device Learning (ODL) for Ultra-Low-Power Micro-Controller Units (MCUs) is a key step for post-deployment adaptation and fine-tuning of Deep Neural Network (DNN) models in future TinyML applications. This paper tackles this challenge by introducing a novel reduced precision optimization technique for ODL primitives on MCU-class devices, leveraging the State-of-Art advancements in RISC-V RV32 architectures with support for vectorized 16-bit floating-point (FP16) Single-Instruction Multiple-Data (SIMD) operations. Our approach for the Forward and Backward steps of the Back-Propagation training algorithm is composed of specialized shape transform operators and Matrix Multiplication (MM) kernels, accelerated with parallelization and loop unrolling. When evaluated on a single training step of a 2D Convolution layer, the SIMD-optimized FP16 primitives result up to 1.72times faster than the FP32 baseline on a RISC-V-based 8+1-core MCU. An average computing efficiency of 3.11 Multiply and Accumulate operations per clock cycle (MAC/clk) and 0.81 MAC/clk is measured for the end-to-end training tasks of a ResNet8 and a DS-CNN for Image Classification and Keyword Spotting, respectively -- requiring 17.1 ms and 6.4 ms on the target platform to compute a training step on a single sample. Overall, our approach results more than two orders of magnitude faster than existing ODL software frameworks for single-core MCUs and outperforms by 1.6 times previous FP32 parallel implementations on a Continual Learning setup.

Large language models (LLMs) currently suffer from parameter entanglement, where general reasoning capabilities (logic) and specific factual knowledge (facts) exist in a superposition state within shared weights. This coupling leads to the "memory wall," where computational capacity is squandered on simulating retrieval, often resulting in hallucinations. In this paper, we propose "digital metabolism," a thermodynamic hypothesis suggesting that targeted forgetting is necessary for distilling a pure neural logic core. To validate this hypothesis, we introduce the Regenerative Logic-Core Protocol (RLCP), a dual-stream training framework that renders specific factual dependencies linearly undecodable via deep-layer gradient reversal. Applying RLCP to Qwen2.5-0.5B, we observe a distinct phase transition: the model achieves near-zero retention of targeted factual associations (Accuracy < 7%) while exhibiting changes consistent with an emergent "structural crystallization" effect. Empirical analysis on GSM8K reveals that the "metabolized" model spontaneously adopts chain-of-thought (CoT) scaffolding, which we interpret as compensating for the loss of direct associative recall (shifting from O(1) recall to O(N) reasoning). While the causal mechanism underlying this behavioral shift requires further investigation, our findings provide a dynamic weight-level counterpart to architectural innovations like DeepSeek's Engram, paving the way for modular "Neural CPU + Symbolic RAM" architectures.

Click-through rate (CTR) prediction is one of the fundamental tasks for online advertising and recommendation. While multi-layer perceptron (MLP) serves as a core component in many deep CTR prediction models, it has been widely recognized that applying a vanilla MLP network alone is inefficient in learning multiplicative feature interactions. As such, many two-stream interaction models (e.g., DeepFM and DCN) have been proposed by integrating an MLP network with another dedicated network for enhanced CTR prediction. As the MLP stream learns feature interactions implicitly, existing research focuses mainly on enhancing explicit feature interactions in the complementary stream. In contrast, our empirical study shows that a well-tuned two-stream MLP model that simply combines two MLPs can even achieve surprisingly good performance, which has never been reported before by existing work. Based on this observation, we further propose feature gating and interaction aggregation layers that can be easily plugged to make an enhanced two-stream MLP model, FinalMLP. In this way, it not only enables differentiated feature inputs but also effectively fuses stream-level interactions across two streams. Our evaluation results on four open benchmark datasets as well as an online A/B test in our industrial system show that FinalMLP achieves better performance than many sophisticated two-stream CTR models. Our source code will be available at MindSpore/models.

Large language models (LLMs) often memorize private information during training, raising serious privacy concerns. While machine unlearning has emerged as a promising solution, its true effectiveness against privacy attacks remains unclear. To address this, we propose PrivUn, a new evaluation framework that systematically assesses unlearning robustness through three-tier attack scenarios: direct retrieval, in-context learning recovery, and fine-tuning restoration; combined with quantitative analysis using forgetting scores, association metrics, and forgetting depth assessment. Our study exposes significant weaknesses in current unlearning methods, revealing two key findings: 1) unlearning exhibits gradient-driven ripple effects: unlike traditional forgetting which follows semantic relations (e.g., knowledge graphs), privacy unlearning propagates across latent gradient-based associations; and 2) most methods suffer from shallow forgetting, failing to remove private information distributed across multiple deep model layers. To validate these insights, we explore two strategies: association-aware core-set selection that leverages gradient similarity, and multi-layer deep intervention through representational constraints. These strategies represent a paradigm shift from shallow forgetting to deep forgetting.

Text-to-Image models have introduced a remarkable leap in the evolution of machine learning, demonstrating high-quality synthesis of images from a given text-prompt. However, these powerful pretrained models still lack control handles that can guide spatial properties of the synthesized images. In this work, we introduce a universal approach to guide a pretrained text-to-image diffusion model, with a spatial map from another domain (e.g., sketch) during inference time. Unlike previous works, our method does not require to train a dedicated model or a specialized encoder for the task. Our key idea is to train a Latent Guidance Predictor (LGP) - a small, per-pixel, Multi-Layer Perceptron (MLP) that maps latent features of noisy images to spatial maps, where the deep features are extracted from the core Denoising Diffusion Probabilistic Model (DDPM) network. The LGP is trained only on a few thousand images and constitutes a differential guiding map predictor, over which the loss is computed and propagated back to push the intermediate images to agree with the spatial map. The per-pixel training offers flexibility and locality which allows the technique to perform well on out-of-domain sketches, including free-hand style drawings. We take a particular focus on the sketch-to-image translation task, revealing a robust and expressive way to generate images that follow the guidance of a sketch of arbitrary style or domain. Project page: sketch-guided-diffusion.github.io

Data-driven, deep-learning modeling frameworks have been recently developed for forecasting time series data. Such machine learning models may be useful in multiple domains including the atmospheric and oceanic ones, and in general, the larger fluids community. The present work investigates the possible effectiveness of such deep neural operator models for reproducing and predicting classic fluid flows and simulations of realistic ocean dynamics. We first briefly evaluate the capabilities of such deep neural operator models when trained on a simulated two-dimensional fluid flow past a cylinder. We then investigate their application to forecasting ocean surface circulation in the Middle Atlantic Bight and Massachusetts Bay, learning from high-resolution data-assimilative simulations employed for real sea experiments. We confirm that trained deep neural operator models are capable of predicting idealized periodic eddy shedding. For realistic ocean surface flows and our preliminary study, they can predict several of the features and show some skill, providing potential for future research and applications.

Developing Intelligent Systems involves artificial intelligence approaches including artificial neural networks. Here, we present a tutorial of Deep Neural Networks (DNNs), and some insights about the origin of the term "deep"; references to deep learning are also given. Restricted Boltzmann Machines, which are the core of DNNs, are discussed in detail. An example of a simple two-layer network, performing unsupervised learning for unlabeled data, is shown. Deep Belief Networks (DBNs), which are used to build networks with more than two layers, are also described. Moreover, examples for supervised learning with DNNs performing simple prediction and classification tasks, are presented and explained. This tutorial includes two intelligent pattern recognition applications: hand- written digits (benchmark known as MNIST) and speech recognition.

Depth is the hallmark of deep neural networks. But more depth means more sequential computation and higher latency. This begs the question -- is it possible to build high-performing "non-deep" neural networks? We show that it is. To do so, we use parallel subnetworks instead of stacking one layer after another. This helps effectively reduce depth while maintaining high performance. By utilizing parallel substructures, we show, for the first time, that a network with a depth of just 12 can achieve top-1 accuracy over 80% on ImageNet, 96% on CIFAR10, and 81% on CIFAR100. We also show that a network with a low-depth (12) backbone can achieve an AP of 48% on MS-COCO. We analyze the scaling rules for our design and show how to increase performance without changing the network's depth. Finally, we provide a proof of concept for how non-deep networks could be used to build low-latency recognition systems. Code is available at https://github.com/imankgoyal/NonDeepNetworks.

Deep learning methods employ multiple processing layers to learn hierarchical representations of data and have produced state-of-the-art results in many domains. Recently, a variety of model designs and methods have blossomed in the context of natural language processing (NLP). In this paper, we review significant deep learning related models and methods that have been employed for numerous NLP tasks and provide a walk-through of their evolution. We also summarize, compare and contrast the various models and put forward a detailed understanding of the past, present and future of deep learning in NLP.

We introduce a fully 3D, deep learning-based approach for the joint inversion of time-lapse surface gravity and seismic data for reconstructing subsurface density and velocity models. The target application of this proposed inversion approach is the prediction of subsurface CO2 plumes as a complementary tool for monitoring CO2 sequestration deployments. Our joint inversion technique outperforms deep learning-based gravity-only and seismic-only inversion models, achieving improved density and velocity reconstruction, accurate segmentation, and higher R-squared coefficients. These results indicate that deep learning-based joint inversion is an effective tool for CO_2 storage monitoring. Future work will focus on validating our approach with larger datasets, simulations with other geological storage sites, and ultimately field data.

Modern LLMs are increasingly deep, and depth correlates with performance, albeit with diminishing returns. However, do these models use their depth efficiently? Do they compose more features to create higher-order computations that are impossible in shallow models, or do they merely spread the same kinds of computation out over more layers? To address these questions, we analyze the residual stream of the Llama 3.1 and Qwen 3 family of models. We find: First, comparing the output of the sublayers to the residual stream reveals that layers in the second half contribute much less than those in the first half, with a clear phase transition between the two halves. Second, skipping layers in the second half has a much smaller effect on future computations and output predictions. Third, for multihop tasks, we are unable to find evidence that models are using increased depth to compose subresults in examples involving many hops. Fourth, we seek to directly address whether deeper models are using their additional layers to perform new kinds of computation. To do this, we train linear maps from the residual stream of a shallow model to a deeper one. We find that layers with the same relative depth map best to each other, suggesting that the larger model simply spreads the same computations out over its many layers. All this evidence suggests that deeper models are not using their depth to learn new kinds of computation, but only using the greater depth to perform more fine-grained adjustments to the residual. This may help explain why increasing scale leads to diminishing returns for stacked Transformer architectures.

During a geosteering operation the well path is intentionally adjusted in response to the new data acquired while drilling. To achieve consistent high-quality decisions, especially when drilling in complex environments, decision support systems can help cope with high volumes of data and interpretation complexities. They can assimilate the real-time measurements into a probabilistic earth model and use the updated model for decision recommendations. Recently, machine learning (ML) techniques have enabled a wide range of methods that redistribute computational cost from on-line to off-line calculations. In this paper, we introduce two ML techniques into the geosteering decision support framework. Firstly, a complex earth model representation is generated using a Generative Adversarial Network (GAN). Secondly, a commercial extra-deep electromagnetic simulator is represented using a Forward Deep Neural Network (FDNN). The numerical experiments demonstrate that the combination of the GAN and the FDNN in an ensemble randomized maximum likelihood data assimilation scheme provides real-time estimates of complex geological uncertainty. This yields reduction of geological uncertainty ahead of the drill-bit from the measurements gathered behind and around the well bore.

Advances in underwater imaging enable the collection of extensive seafloor image datasets that are necessary for monitoring important benthic ecosystems. The ability to collect seafloor imagery has outpaced our capacity to analyze it, hindering expedient mobilization of this crucial environmental information. Recent machine learning approaches provide opportunities to increase the efficiency with which seafloor image datasets are analyzed, yet large and consistent datasets necessary to support development of such approaches are scarce. Here we present BenthicNet: a global compilation of seafloor imagery designed to support the training and evaluation of large-scale image recognition models. An initial set of over 11.4 million images was collected and curated to represent a diversity of seafloor environments using a representative subset of 1.3 million images. These are accompanied by 2.6 million annotations translated to the CATAMI scheme, which span 190,000 of the images. A large deep learning model was trained on this compilation and preliminary results suggest it has utility for automating large and small-scale image analysis tasks. The compilation and model are made openly available for use by the scientific community at https://doi.org/10.20383/103.0614.

Large language models (LLMs) have shown remarkable performances across a wide range of tasks. However, the mechanisms by which these models encode tasks of varying complexities remain poorly understood. In this paper, we explore the hypothesis that LLMs process concepts of varying complexities in different layers, introducing the idea of "Concept Depth" to suggest that more complex concepts are typically acquired in deeper layers. Specifically, we categorize concepts based on their level of abstraction, defining them in the order of increasing complexity within factual, emotional, and inferential tasks. We conduct extensive probing experiments using layer-wise representations across various LLM families (Gemma, LLaMA, QWen) on various datasets spanning the three domains of tasks. Our findings reveal that models could efficiently conduct probing for simpler tasks in shallow layers, and more complex tasks typically necessitate deeper layers for accurate understanding. Additionally, we examine how external factors, such as adding noise to the input and quantizing the model weights, might affect layer-wise representations. Our findings suggest that these factors can impede the development of a conceptual understanding of LLMs until deeper layers are explored. We hope that our proposed concept and experimental insights will enhance the understanding of the mechanisms underlying LLMs. Our codes are available at https://github.com/Luckfort/CD.

Current deep learning methods are regarded as favorable if they empirically perform well on dedicated test sets. This mentality is seamlessly reflected in the resurfacing area of continual learning, where consecutively arriving data is investigated. The core challenge is framed as protecting previously acquired representations from being catastrophically forgotten. However, comparison of individual methods is nevertheless performed in isolation from the real world by monitoring accumulated benchmark test set performance. The closed world assumption remains predominant, i.e. models are evaluated on data that is guaranteed to originate from the same distribution as used for training. This poses a massive challenge as neural networks are well known to provide overconfident false predictions on unknown and corrupted instances. In this work we critically survey the literature and argue that notable lessons from open set recognition, identifying unknown examples outside of the observed set, and the adjacent field of active learning, querying data to maximize the expected performance gain, are frequently overlooked in the deep learning era. Hence, we propose a consolidated view to bridge continual learning, active learning and open set recognition in deep neural networks. Finally, the established synergies are supported empirically, showing joint improvement in alleviating catastrophic forgetting, querying data, selecting task orders, while exhibiting robust open world application.

There is some theoretical evidence that deep neural networks with multiple hidden layers have a potential for more efficient representation of multidimensional mappings than shallow networks with a single hidden layer. The question is whether it is possible to exploit this theoretical advantage for finding such representations with help of numerical training methods. Tests using prototypical problems with a known mean square minimum did not confirm this hypothesis. Minima found with the help of deep networks have always been worse than those found using shallow networks. This does not directly contradict the theoretical findings---it is possible that the superior representational capacity of deep networks is genuine while finding the mean square minimum of such deep networks is a substantially harder problem than with shallow ones.

Electroencephalography (EEG) foundation models hold significant promise for universal Brain-Computer Interfaces (BCIs). However, existing approaches often rely on end-to-end fine-tuning and exhibit limited efficacy under frozen-probing protocols, lacking the intrinsic universality required for broad generalization. This limitation stems from adapting general-purpose sequence architectures that overlook the biophysical and dynamical principles of neural activity. To bridge this gap, we propose DeeperBrain, a neuro-grounded foundation model integrating domain-specific inductive biases into its model design and learning objectives. Architecturally, DeeperBrain incorporates a volume conduction-aware channel encoding to model spatial mixing via 3D geometry, and a neurodynamics-aware temporal encoding capturing slow adaptations using oscillatory and exponential bases. For pretraining, we introduce a dual-objective strategy combining Masked EEG Reconstruction (MER) for local fidelity and Neurodynamics Statistics Prediction (NSP). NSP enforces alignment with macroscopic brain states by predicting interpretable order parameters, including spectral power, functional connectivity, cross-frequency coupling, and dynamic complexity. Extensive experiments demonstrate that DeeperBrain achieves state-of-the-art or highly competitive performance under end-to-end fine-tuning. Crucially, it maintains superior efficacy under a rigorous frozen-probing protocol, verifying that embedding neuroscientific first principles endows learned representations with the intrinsic universality essential for universal BCI. The code will be publicly available.

Deep learning has become an area of interest in most scientific areas, including physical sciences. Modern networks apply real-valued transformations on the data. Particularly, convolutions in convolutional neural networks discard phase information entirely. Many deterministic signals, such as seismic data or electrical signals, contain significant information in the phase of the signal. We explore complex-valued deep convolutional networks to leverage non-linear feature maps. Seismic data commonly has a lowcut filter applied, to attenuate noise from ocean waves and similar long wavelength contributions. Discarding the phase information leads to low-frequency aliasing analogous to the Nyquist-Shannon theorem for high frequencies. In non-stationary data, the phase content can stabilize training and improve the generalizability of neural networks. While it has been shown that phase content can be restored in deep neural networks, we show how including phase information in feature maps improves both training and inference from deterministic physical data. Furthermore, we show that the reduction of parameters in a complex network outperforms larger real-valued networks.

Implicit models separate the definition of a layer from the description of its solution process. While implicit layers allow features such as depth to adapt to new scenarios and inputs automatically, this adaptivity makes its computational expense challenging to predict. In this manuscript, we increase the "implicitness" of the DEQ by redefining the method in terms of an infinite time neural ODE, which paradoxically decreases the training cost over a standard neural ODE by 2-4x. Additionally, we address the question: is there a way to simultaneously achieve the robustness of implicit layers while allowing the reduced computational expense of an explicit layer? To solve this, we develop Skip and Skip Reg. DEQ, an implicit-explicit (IMEX) layer that simultaneously trains an explicit prediction followed by an implicit correction. We show that training this explicit predictor is free and even decreases the training time by 1.11-3.19x. Together, this manuscript shows how bridging the dichotomy of implicit and explicit deep learning can combine the advantages of both techniques.

Decoder-only transformers have become the standard architecture for large language models (LLMs) due to their strong performance. Recent studies suggest that, in pre-trained LLMs, early, middle, and late layers may serve distinct roles: Early layers focus on understanding the input context, middle layers handle task-specific processing, and late layers convert abstract representations into output tokens. We hypothesize that once representations have been processed by the early and middle layers, the resulting hidden states may encapsulate sufficient information to support the generation of multiple tokens using only the late layers, eliminating the need to repeatedly traverse the early and middle layers. We refer to this inference paradigm as Direct Multi-Token Decoding (DMTD). Unlike speculative decoding, our method introduces no additional parameters, auxiliary routines, or post-generation verification. Despite being trained on a limited dataset, a fine-tuned DMTD Qwen3-4B model has already demonstrated promising results, achieving up to a 2x speedup with only minor performance loss. Moreover, as shown in our scaling analysis, its performance is expected to further improve with larger training datasets.

From extracting features to generating text, the outputs of large language models (LLMs) typically rely on their final layers, following the conventional wisdom that earlier layers capture only low-level cues. However, our analysis shows that intermediate layers can encode even richer representations, often improving performance on a wide range of downstream tasks. To explain and quantify these hidden-layer properties, we propose a unified framework of representation quality metrics based on information theory, geometry, and invariance to input perturbations. Our framework highlights how each model layer balances information compression and signal preservation, revealing why mid-depth embeddings can exceed the last layer's performance. Through extensive experiments on 32 text-embedding tasks and comparisons across model architectures (transformers, state-space models) and domains (language, vision), we demonstrate that intermediate layers consistently provide stronger features. These findings challenge the standard focus on final-layer embeddings and open new directions for model analysis and optimization, including strategic use of mid-layer representations for more robust and accurate AI systems.

The Transformer is an extremely powerful and prominent deep learning architecture. In this work, we challenge the commonly held belief in deep learning that going deeper is better, and show an alternative design approach that is building wider attention Transformers. We demonstrate that wide single layer Transformer models can compete with or outperform deeper ones in a variety of Natural Language Processing (NLP) tasks when both are trained from scratch. The impact of changing the model aspect ratio on Transformers is then studied systematically. This ratio balances the number of layers and the number of attention heads per layer while keeping the total number of attention heads and all other hyperparameters constant. On average, across 4 NLP tasks and 10 attention types, single layer wide models perform 0.3% better than their deep counterparts. We show an in-depth evaluation and demonstrate how wide models require a far smaller memory footprint and can run faster on commodity hardware, in addition, these wider models are also more interpretable. For example, a single layer Transformer on the IMDb byte level text classification has 3.1x faster inference latency on a CPU than its equally accurate deeper counterpart, and is half the size. We therefore put forward wider and shallower models as a viable and desirable alternative for small models on NLP tasks, and as an important area of research for domains beyond this.

The purpose of this paper is to review the most popular deep learning methods used to analyze astroparticle data obtained with Imaging Atmospheric Cherenkov Telescopes and provide references to the original papers.

Deep neural networks have a good success record and are thus viewed as the best architecture choice for complex applications. Their main shortcoming has been, for a long time, the vanishing gradient which prevented the numerical optimization algorithms from acceptable convergence. A breakthrough has been achieved by the concept of residual connections -- an identity mapping parallel to a conventional layer. This concept is applicable to stacks of layers of the same dimension and substantially alleviates the vanishing gradient problem. A stack of residual connection layers can be expressed as an expansion of terms similar to the Taylor expansion. This expansion suggests the possibility of truncating the higher-order terms and receiving an architecture consisting of a single broad layer composed of all initially stacked layers in parallel. In other words, a sequential deep architecture is substituted by a parallel shallow one. Prompted by this theory, we investigated the performance capabilities of the parallel architecture in comparison to the sequential one. The computer vision datasets MNIST and CIFAR10 were used to train both architectures for a total of 6912 combinations of varying numbers of convolutional layers, numbers of filters, kernel sizes, and other meta parameters. Our findings demonstrate a surprising equivalence between the deep (sequential) and shallow (parallel) architectures. Both layouts produced similar results in terms of training and validation set loss. This discovery implies that a wide, shallow architecture can potentially replace a deep network without sacrificing performance. Such substitution has the potential to simplify network architectures, improve optimization efficiency, and accelerate the training process.

Deep learning foundation models are revolutionizing many facets of science by leveraging vast amounts of data to learn general-purpose representations that can be adapted to tackle diverse downstream tasks. Foundation models hold the promise to also transform our ability to model our planet and its subsystems by exploiting the vast expanse of Earth system data. Here we introduce Aurora, a large-scale foundation model of the atmosphere trained on over a million hours of diverse weather and climate data. Aurora leverages the strengths of the foundation modelling approach to produce operational forecasts for a wide variety of atmospheric prediction problems, including those with limited training data, heterogeneous variables, and extreme events. In under a minute, Aurora produces 5-day global air pollution predictions and 10-day high-resolution weather forecasts that outperform state-of-the-art classical simulation tools and the best specialized deep learning models. Taken together, these results indicate that foundation models can transform environmental forecasting.

Neural scaling laws describe how language model loss decreases with parameters and data, but treat architecture as interchangeable--a billion parameters could arise from a shallow-wide model (10 layers & 8,192 hidden dimension) or a deep-narrow one (80 layers & 2,048 hidden dimension). We propose architecture-conditioned scaling laws decomposing this dependence, finding that optimal depth scales as D* ~ C^0.12 while optimal width scales as W* ~ C^0.34, meaning width should grow 2.8x faster than depth. We discover a critical depth phenomenon: beyond D_crit ~ W^0.44 (sublinear in W), adding layers increases loss despite adding parameters--the Depth Delusion. Empirically, we validate these findings across 30 transformer architectures spanning 17M to 7B parameters, each trained on representative high-compute samples, achieving R^2 = 0.922. Our central finding: at 7B scale, a 64-layer model (6.38B params) underperforms a 32-layer model (6.86B params) by 0.12 nats, despite being significantly deeper. This demonstrates that optimal depth-width tradeoffs persist at the production scale.

Physics-based numerical models have been the bedrock of atmospheric sciences for decades, offering robust solutions but often at the cost of significant computational resources. Deep learning (DL) models have emerged as powerful tools in meteorology, capable of analyzing complex weather and climate data by learning intricate dependencies and providing rapid predictions once trained. While these models demonstrate promising performance in weather prediction, often surpassing traditional physics-based methods, they still face critical challenges. This paper presents a comprehensive survey of recent deep learning and foundation models for weather prediction. We propose a taxonomy to classify existing models based on their training paradigms: deterministic predictive learning, probabilistic generative learning, and pre-training and fine-tuning. For each paradigm, we delve into the underlying model architectures, address major challenges, offer key insights, and propose targeted directions for future research. Furthermore, we explore real-world applications of these methods and provide a curated summary of open-source code repositories and widely used datasets, aiming to bridge research advancements with practical implementations while fostering open and trustworthy scientific practices in adopting cutting-edge artificial intelligence for weather prediction. The related sources are available at https://github.com/JimengShi/ DL-Foundation-Models-Weather.

Seismic processing plays a crucial role in transforming raw data into high-quality subsurface images, pivotal for various geoscience applications. Despite its importance, traditional seismic processing techniques face challenges such as noisy and damaged data and the reliance on manual, time-consuming workflows. The emergence of deep learning approaches has introduced effective and user-friendly alternatives, yet many of these deep learning approaches rely on synthetic datasets and specialized neural networks. Recently, foundation models have gained traction in the seismic domain, due to their success in the natural image domain. Therefore, we investigate the application of natural image foundation models on the three seismic processing tasks: demultiple, interpolation, and denoising. We evaluate the impact of different model characteristics, such as pre-training technique and neural network architecture, on performance and efficiency. Rather than proposing a single seismic foundation model, we critically examine various natural image foundation models and suggest some promising candidates for future exploration.

Deep learning yields great results across many fields, from speech recognition, image classification, to translation. But for each problem, getting a deep model to work well involves research into the architecture and a long period of tuning. We present a single model that yields good results on a number of problems spanning multiple domains. In particular, this single model is trained concurrently on ImageNet, multiple translation tasks, image captioning (COCO dataset), a speech recognition corpus, and an English parsing task. Our model architecture incorporates building blocks from multiple domains. It contains convolutional layers, an attention mechanism, and sparsely-gated layers. Each of these computational blocks is crucial for a subset of the tasks we train on. Interestingly, even if a block is not crucial for a task, we observe that adding it never hurts performance and in most cases improves it on all tasks. We also show that tasks with less data benefit largely from joint training with other tasks, while performance on large tasks degrades only slightly if at all.

Deep Learning architectures, and in particular Transformers, are conventionally viewed as a composition of layers. These layers are actually often obtained as the sum of two contributions: a residual path that copies the input and the output of a Transformer block. As a consequence, the inner representations (i.e. the input of these blocks) can be interpreted as iterative refinement of a propagated latent representation. Under this lens, many works suggest that the inner space is shared across layers, meaning that tokens can be decoded at early stages. Mechanistic interpretability even goes further by conjecturing that some layers act as refinement layers. Following this path, we propose inference-time inner looping, which prolongs refinement in pretrained off-the-shelf language models by repeatedly re-applying a selected block range. Across multiple benchmarks, inner looping yields modest but consistent accuracy improvements. Analyses of the resulting latent trajectories suggest more stable state evolution and continued semantic refinement. Overall, our results suggest that additional refinement can be obtained through simple test-time looping, extending computation in frozen pretrained models.

Maxwell's equations, a system of linear partial differential equations (PDEs), describe the behavior of electric and magnetic fields in time and space and are essential for many important electromagnetic applications. Although numerical methods have been applied successfully in the past, the primary challenge in solving these equations arises from the frequency of electromagnetic fields, which depends on the shape and size of the objects to be resolved. Since the domain of influence for these equations is compactly supported, even a small perturbation in frequency necessitates a new discretization of Maxwell's equations, resulting in substantial computational costs. In this work, we investigate the potential of neural operators, particularly the Deep Operator Network (DeepONet) and its variants, as a surrogate model for Maxwell's equations. Existing DeepONet implementations are restricted to real-valued data in R^n, but since the time-harmonic Maxwell's equations yield solutions in the complex domain C^n, a specialized architecture is required to handle complex algebra. We propose a formulation of DeepONet for complex data, define the forward pass in the complex domain, and adopt a reparametrized version of DeepONet for more efficient training. We also propose a unified framework to combine a plurality of DeepONets, trained for multiple electromagnetic field components, to incorporate the boundary condition. We conduct computational experiments on a 3D metallic sphere without singularities and on a metallic almond-shaped target to demonstrate the effectiveness of the proposed method for problems involving singularity-prone solutions. As shown by computational experiments, our method significantly enhances the efficiency of predicting scattered fields from a spherical object at arbitrary high frequencies.

Deep neural networks have recently been shown to achieve highly competitive performance in many computer vision tasks due to their abilities of exploring in a much larger hypothesis space. However, since most deep architectures like stacked RNNs tend to suffer from the vanishing-gradient and overfitting problems, their effects are still understudied in many NLP tasks. Inspired by this, we propose a novel multi-layer RNN model called densely connected bidirectional long short-term memory (DC-Bi-LSTM) in this paper, which essentially represents each layer by the concatenation of its hidden state and all preceding layers' hidden states, followed by recursively passing each layer's representation to all subsequent layers. We evaluate our proposed model on five benchmark datasets of sentence classification. DC-Bi-LSTM with depth up to 20 can be successfully trained and obtain significant improvements over the traditional Bi-LSTM with the same or even less parameters. Moreover, our model has promising performance compared with the state-of-the-art approaches.

Long-context inference in decoder-only language models is costly because long prompts are processed during Prefill, cached at every layer, and repeatedly attended to during autoregressive Decode. We introduce Shallow Prefill, dEEp Decode (SPEED), a phase-asymmetric KV-visibility policy that materializes non-anchor prompt-token KV states only in lower layers while keeping Decode-phase tokens full-depth. Unlike previous approaches that make upper-layer prompt KV states cheaper to store or construct, SPEED removes prefill tokens from the upper-layer Decode visibility set altogether. With a minimal BoS anchor, this simple change preserves broad benchmark quality while reducing long-context cost. In a controlled Llama-3.1-8B instruction-tuning study, SPEED using only 75\% of layers for prefill tokens reaches 51.2 average score on OLMES-style benchmarks, compared with 51.4 for the full-depth baseline, while improving TTFT by 33\%, TPOT by 22\%, and reducing active KV memory by 25.0\% at 128K context. Layer-wise diagnostics suggest that this cutoff retains the main prompt-selection and representation-stabilization regions of the full-depth model. These results show that long-context prompt tokens need not always persist as full-depth KV-cache objects when Decode-phase tokens remain full-depth.

Orthonormalized update rules have rapidly become a leading choice of optimizer for training large language models, with recent open-source state-of-the-art models adopting Muon. To keep these updates tractable, Muon performs the orthonormalization with the Newton--Schulz (NS) iteration. Since NS is only approximate, directions with small singular values fail to be orthonormalized. In Muon, NS is applied to the momentum matrix at every step, yet little is known about how the singular value spectrum of these momentum matrices behaves during training, or how that behavior changes with model size. We present the first systematic study of this question. Tracking singular value quantiles of the momentum buffer across layers in models ranging from 77M to 2.8B parameters, we observe a consistent picture: after a short burn-in, the quantiles stabilize at a value determined by the layer type and model size. These stabilization values follow remarkably clean power laws in model size, with layer-dependent exponents. Layers up to mid-late depth scale very mildly with model size M (around M^{-0.25}), so the standard 5-step NS configuration used at academic scale will continue to orthonormalize them at much larger scales. Some of the late layers, however, scale much more aggressively (up to M^{-0.96}) and will fall into the NS failure regime at frontier scale unless one uses more NS iterations or better-tuned coefficients. NS iterations are computationally expensive at scale; our laws give practitioners a principled, layer-aware recipe for choosing the minimum NS configuration that still orthonormalizes the directions that matter -- avoiding unnecessary computation without sacrificing update quality.

Our proposed deeply-supervised nets (DSN) method simultaneously minimizes classification error while making the learning process of hidden layers direct and transparent. We make an attempt to boost the classification performance by studying a new formulation in deep networks. Three aspects in convolutional neural networks (CNN) style architectures are being looked at: (1) transparency of the intermediate layers to the overall classification; (2) discriminativeness and robustness of learned features, especially in the early layers; (3) effectiveness in training due to the presence of the exploding and vanishing gradients. We introduce "companion objective" to the individual hidden layers, in addition to the overall objective at the output layer (a different strategy to layer-wise pre-training). We extend techniques from stochastic gradient methods to analyze our algorithm. The advantage of our method is evident and our experimental result on benchmark datasets shows significant performance gain over existing methods (e.g. all state-of-the-art results on MNIST, CIFAR-10, CIFAR-100, and SVHN).

We introduce the Granite Embedding models, a family of encoder-based embedding models designed for retrieval tasks, spanning dense-retrieval and sparse retrieval architectures, with both English and Multilingual capabilities. This report provides the technical details of training these highly effective 12 layer embedding models, along with their efficient 6 layer distilled counterparts. Extensive evaluations show that the models, developed with techniques like retrieval oriented pretraining, contrastive finetuning, knowledge distillation, and model merging significantly outperform publicly available models of similar sizes on both internal IBM retrieval and search tasks, and have equivalent performance on widely used information retrieval benchmarks, while being trained on high-quality data suitable for enterprise use. We publicly release all our Granite Embedding models under the Apache 2.0 license, allowing both research and commercial use at https://huggingface.co/collections/ibm-granite.

The success of deep learning is usually accompanied by the growth in neural network depth. However, the traditional training method only supervises the neural network at its last layer and propagates the supervision layer-by-layer, which leads to hardship in optimizing the intermediate layers. Recently, deep supervision has been proposed to add auxiliary classifiers to the intermediate layers of deep neural networks. By optimizing these auxiliary classifiers with the supervised task loss, the supervision can be applied to the shallow layers directly. However, deep supervision conflicts with the well-known observation that the shallow layers learn low-level features instead of task-biased high-level semantic features. To address this issue, this paper proposes a novel training framework named Contrastive Deep Supervision, which supervises the intermediate layers with augmentation-based contrastive learning. Experimental results on nine popular datasets with eleven models demonstrate its effects on general image classification, fine-grained image classification and object detection in supervised learning, semi-supervised learning and knowledge distillation. Codes have been released in Github.

Deep Neural Networks (DNNs) have been shown to be vulnerable to adversarial examples. While numerous successful adversarial attacks have been proposed, defenses against these attacks remain relatively understudied. Existing defense approaches either focus on negating the effects of perturbations caused by the attacks to restore the DNNs' original predictions or use a secondary model to detect adversarial examples. However, these methods often become ineffective due to the continuous advancements in attack techniques. We propose a novel universal and lightweight method to detect adversarial examples by analyzing the layer outputs of DNNs. Our method trains a lightweight regression model that predicts deeper-layer features from early-layer features, and uses the prediction error to detect adversarial samples. Through theoretical justification and extensive experiments, we demonstrate that our detection method is highly effective, compatible with any DNN architecture, and applicable across different domains, such as image, video, and audio.

Deep Learning (DL) has advanced various fields by extracting complex patterns from large datasets. However, the computational demands of DL models pose environmental and resource challenges. Deep Shift Neural Networks (DSNNs) present a solution by leveraging shift operations to reduce computational complexity at inference. Compared to common DNNs, DSNNs are still less well understood and less well optimized. By leveraging AutoML techniques, we provide valuable insights into the potential of DSNNs and how to design them in a better way. We focus on image classification, a core task in computer vision, especially in low-resource environments. Since we consider complementary objectives such as accuracy and energy consumption, we combine state-of-the-art multi-fidelity (MF) hyperparameter optimization (HPO) with multi-objective optimization to find a set of Pareto optimal trade-offs on how to design DSNNs. Our approach led to significantly better configurations of DSNNs regarding loss and emissions compared to default DSNNs. This includes simultaneously increasing performance by about 20% and reducing emissions, in some cases by more than 60%. Investigating the behavior of quantized networks in terms of both emissions and accuracy, our experiments reveal surprising model-specific trade-offs, yielding the greatest energy savings. For example, in contrast to common expectations, quantizing smaller portions of the network with low precision can be optimal with respect to energy consumption while retaining or improving performance. We corroborated these findings across multiple backbone architectures, highlighting important nuances in quantization strategies and offering an automated approach to balancing energy efficiency and model performance.

Attention layers, as commonly used in transformers, form the backbone of modern deep learning, yet there is no mathematical description of their benefits and deficiencies as compared with other architectures. In this work we establish both positive and negative results on the representation power of attention layers, with a focus on intrinsic complexity parameters such as width, depth, and embedding dimension. On the positive side, we present a sparse averaging task, where recurrent networks and feedforward networks all have complexity scaling polynomially in the input size, whereas transformers scale merely logarithmically in the input size; furthermore, we use the same construction to show the necessity and role of a large embedding dimension in a transformer. On the negative side, we present a triple detection task, where attention layers in turn have complexity scaling linearly in the input size; as this scenario seems rare in practice, we also present natural variants that can be efficiently solved by attention layers. The proof techniques emphasize the value of communication complexity in the analysis of transformers and related models, and the role of sparse averaging as a prototypical attention task, which even finds use in the analysis of triple detection.

Surface wave dispersion curve inversion plays a critical role in both shallow resource exploration and deep geological studies, yet it remains hindered by sensitivity to initial models and low computational efficiency. Recently, data-driven deep learning methods, inspired by advances in computer vision, have shown promising potential to address these challenges. However, the lack of large-scale, diverse benchmark datasets remains a major obstacle to their development and evaluation. To bridge this gap, we present OpenSWI, a comprehensive benchmark dataset generated through the Surface Wave Inversion Dataset Preparation (SWIDP) pipeline. OpenSWI includes two synthetic datasets tailored to different research scales and scenarios, OpenSWI-shallow and OpenSWI-deep, and an AI-ready real-world dataset for generalization evaluation, OpenSWI-real. OpenSWI-shallow, derived from the 2-D OpenFWI geological model dataset, contains over 22 million 1-D velocity profiles paired with fundamental-mode phase and group velocity dispersion curves, spanning a wide range of shallow geological structures (e.g., flat layers, faults, folds, realistic stratigraphy). OpenSWI-deep, built from 14 global and regional 3-D geological models, comprises 1.26 million high-fidelity 1-D velocity-dispersion pairs for deep-Earth studies. OpenSWI-real, compiled from open-source projects, contains two sets of observed dispersion curves with corresponding reference models, serving as a benchmark for evaluating model generalization. To demonstrate utility, we trained models on OpenSWI-shallow and -deep and evaluated them on OpenSWI-real, demonstrating strong agreement between predictions and references, which confirms the diversity and representativeness of the dataset. To advance intelligent surface wave inversion, we release the SWIDP toolbox, OpenSWI datasets, and trained models for the research community.

Large language model (LLM) scaling is hitting a wall. Widening models yields diminishing returns, and extending context length does not improve fundamental expressivity. In contrast, depth scaling offers theoretically superior expressivity, yet current Transformer architectures struggle to train reliably at extreme depths. We revisit the Post-LayerNorm (Post-LN) formulation, whose instability at scale caused its replacement by Pre-LN in modern LLMs. We show that the central failure mode of Post-LN arises from the ResNet-style residual pathway, which introduces gradient vanishing in deep networks. We present Keel, a Post-LN Transformer that replaces this residual path with a Highway-style connection. This modification preserves the gradient flow through the residual branch, preventing signal vanishing from the top layers to the bottom. Unlike prior methods, Keel enables stable training at extreme depths without requiring specialized initialization or complex optimization tricks. Keel trains robustly at depths exceeding 1000 layers and consistently improves perplexity and depth-scaling characteristics over Pre-LN. These findings indicate that Post-LN, when paired with a Highway-style connection, provides a simple and effective foundation for building deeply scalable LLMs, opening the possibility for future infinite-depth architectures.

The Mixture-of-Experts (MoE) layer, a sparsely-activated model controlled by a router, has achieved great success in deep learning. However, the understanding of such architecture remains elusive. In this paper, we formally study how the MoE layer improves the performance of neural network learning and why the mixture model will not collapse into a single model. Our empirical results suggest that the cluster structure of the underlying problem and the non-linearity of the expert are pivotal to the success of MoE. To further understand this, we consider a challenging classification problem with intrinsic cluster structures, which is hard to learn using a single expert. Yet with the MoE layer, by choosing the experts as two-layer nonlinear convolutional neural networks (CNNs), we show that the problem can be learned successfully. Furthermore, our theory shows that the router can learn the cluster-center features, which helps divide the input complex problem into simpler linear classification sub-problems that individual experts can conquer. To our knowledge, this is the first result towards formally understanding the mechanism of the MoE layer for deep learning.

We develop a multi-step workflow for the discovery of conventional superconductors, starting with a Bardeen Cooper Schrieffer inspired pre-screening of 1736 materials with high Debye temperature and electronic density of states. Next, we perform electron-phonon coupling calculations for 1058 of them to establish a large and systematic database of BCS superconducting properties. Using the McMillan-Allen-Dynes formula, we identify 105 dynamically stable materials with transition temperatures, Tc>5 K. Additionally, we analyze trends in our dataset and individual materials including MoN, VC, VTe, KB6, Ru3NbC, V3Pt, ScN, LaN2, RuO2, and TaC. We demonstrate that deep-learning(DL) models can predict superconductor properties faster than direct first principles computations. Notably, we find that by predicting the Eliashberg function as an intermediate quantity, we can improve model performance versus a direct DL prediction of Tc. We apply the trained models on the crystallographic open database and pre-screen candidates for further DFT calculations.

Deep learning increasingly relies on massive data with substantial storage, annotation, and training costs. To reduce costs, coreset selection finds a representative subset of data to train models while ideally performing on par with the full data training. To maximize performance, current state-of-the-art coreset methods select data using dataset-specific ground truth labels and training. However, these methodological requirements prevent selection at scale on real-world, unlabeled data. To that end, this paper addresses the selection of coresets that achieve state-of-the-art performance but without using any labels or training on candidate data. Instead, our solution, Zero-Shot Coreset Selection via Iterative Subspace Sampling (ZCore), uses previously-trained foundation models to generate zero-shot, high-dimensional embedding spaces to interpret unlabeled data. ZCore then iteratively quantifies the relative value of all candidate data based on coverage and redundancy in numerous subspace distributions. Finally, ZCore selects a coreset sized for any data budget to train downstream models. We evaluate ZCore on four datasets and outperform several state-of-the-art label-based methods, especially at low data rates that provide the most substantial cost reduction. On ImageNet, ZCore selections for 10% training data achieve a downstream validation accuracy of 53.99%, which outperforms prior label-based methods and removes annotation and training costs for 1.15 million images. Our paper's code is publicly available at https://github.com/voxel51/zcore.

The scaling of large language models (LLMs) emphasizes increasing depth, yet performance gains diminish with added layers. Prior work introduces the concept of "effective depth", arguing that deeper models fail to fully utilize their layers for meaningful computation. Building on this, we systematically study how effective depth varies with model scale, training type, and task difficulty. First, we analyze the model behavior of Qwen-2.5 family (1.5B-32B) and find that while the number of effective layers grows with model size, the effective depth ratio remains stable. Besides, comparisons between base and corresponding long-CoT models show no increase in effective depth, suggesting that improved reasoning stems from longer context rather than deeper per-token computation. Furthermore, evaluations across tasks of varying difficulty indicate that models do not dynamically use more layers for harder problems. Our results suggest that current LLMs underuse available depth across scales, training paradigms and tasks of varying difficulties, pointing out research opportunities on increasing the layer utilization rate of LLMs, model pruning, and early exiting. Our code is released at https://github.com/AheadOFpotato/what_affects_effective_depth.

Layer-wise distillation is a powerful tool to compress large models (i.e. teacher models) into small ones (i.e., student models). The student distills knowledge from the teacher by mimicking the hidden representations of the teacher at every intermediate layer. However, layer-wise distillation is difficult. Since the student has a smaller model capacity than the teacher, it is often under-fitted. Furthermore, the hidden representations of the teacher contain redundant information that the student does not necessarily need for the target task's learning. To address these challenges, we propose a novel Task-aware layEr-wise Distillation (TED). TED designs task-aware filters to align the hidden representations of the student and the teacher at each layer. The filters select the knowledge that is useful for the target task from the hidden representations. As such, TED reduces the knowledge gap between the two models and helps the student to fit better on the target task. We evaluate TED in two scenarios: continual pre-training and fine-tuning. TED demonstrates significant and consistent improvements over existing distillation methods in both scenarios. Code is available at https://github.com/cliang1453/task-aware-distillation.

Implicit layer deep learning techniques, like Neural Differential Equations, have become an important modeling framework due to their ability to adapt to new problems automatically. Training a neural differential equation is effectively a search over a space of plausible dynamical systems. However, controlling the computational cost for these models is difficult since it relies on the number of steps the adaptive solver takes. Most prior works have used higher-order methods to reduce prediction timings while greatly increasing training time or reducing both training and prediction timings by relying on specific training algorithms, which are harder to use as a drop-in replacement due to strict requirements on automatic differentiation. In this manuscript, we use internal cost heuristics of adaptive differential equation solvers at stochastic time points to guide the training toward learning a dynamical system that is easier to integrate. We "close the black-box" and allow the use of our method with any adjoint technique for gradient calculations of the differential equation solution. We perform experimental studies to compare our method to global regularization to show that we attain similar performance numbers without compromising the flexibility of implementation on ordinary differential equations (ODEs) and stochastic differential equations (SDEs). We develop two sampling strategies to trade off between performance and training time. Our method reduces the number of function evaluations to 0.556-0.733x and accelerates predictions by 1.3-2x.

In subsurface imaging, learning the mapping from velocity maps to seismic waveforms (forward problem) and waveforms to velocity (inverse problem) is important for several applications. While traditional techniques for solving forward and inverse problems are computationally prohibitive, there is a growing interest in leveraging recent advances in deep learning to learn the mapping between velocity maps and seismic waveform images directly from data. Despite the variety of architectures explored in previous works, several open questions still remain unanswered such as the effect of latent space sizes, the importance of manifold learning, the complexity of translation models, and the value of jointly solving forward and inverse problems. We propose a unified framework to systematically characterize prior research in this area termed the Generalized Forward-Inverse (GFI) framework, building on the assumption of manifolds and latent space translations. We show that GFI encompasses previous works in deep learning for subsurface imaging, which can be viewed as specific instantiations of GFI. We also propose two new model architectures within the framework of GFI: Latent U-Net and Invertible X-Net, leveraging the power of U-Nets for domain translation and the ability of IU-Nets to simultaneously learn forward and inverse translations, respectively. We show that our proposed models achieve state-of-the-art (SOTA) performance for forward and inverse problems on a wide range of synthetic datasets, and also investigate their zero-shot effectiveness on two real-world-like datasets. Our code is available at https://github.com/KGML-lab/Generalized-Forward-Inverse-Framework-for-DL4SI

Feed-forward layers constitute two-thirds of a transformer model's parameters, yet their role in the network remains under-explored. We show that feed-forward layers in transformer-based language models operate as key-value memories, where each key correlates with textual patterns in the training examples, and each value induces a distribution over the output vocabulary. Our experiments show that the learned patterns are human-interpretable, and that lower layers tend to capture shallow patterns, while upper layers learn more semantic ones. The values complement the keys' input patterns by inducing output distributions that concentrate probability mass on tokens likely to appear immediately after each pattern, particularly in the upper layers. Finally, we demonstrate that the output of a feed-forward layer is a composition of its memories, which is subsequently refined throughout the model's layers via residual connections to produce the final output distribution.

Memory layers use a trainable key-value lookup mechanism to add extra parameters to a model without increasing FLOPs. Conceptually, sparsely activated memory layers complement compute-heavy dense feed-forward layers, providing dedicated capacity to store and retrieve information cheaply. This work takes memory layers beyond proof-of-concept, proving their utility at contemporary scale. On downstream tasks, language models augmented with our improved memory layer outperform dense models with more than twice the computation budget, as well as mixture-of-expert models when matched for both compute and parameters. We find gains are especially pronounced for factual tasks. We provide a fully parallelizable memory layer implementation, demonstrating scaling laws with up to 128B memory parameters, pretrained to 1 trillion tokens, comparing to base models with up to 8B parameters.

We present a simple meta quantization approach that quantizes different layers of a large language model (LLM) at different bit levels, and is independent of the underlying quantization technique. Specifically, we quantize the most important layers to higher bit precision and less important layers to lower bits. We propose two effective strategies to measure the importance of layers within LLMs: the first measures the importance of a layer based on how different its output embeddings are from the input embeddings (higher is better); the second estimates the importance of a layer using the number of layer weights that are much larger than average (smaller is better). We show that quantizing different layers at varying bits according to our importance scores results in minimal performance drop with a far more compressed model size. Finally, we present several practical key takeaways from our variable layer-wise quantization experiments: (a) LLM performance under variable quantization remains close to the original model until 25-50% of layers are moved in lower quantization using our proposed ordering but only until 5-10% if moved using no specific ordering; (b) Adding layer importance to inherently dynamic quantization techniques can further improve their performance, showing that our approach is complementary to other dynamic quantization methods; (c) Quantizing LLMs to lower bits performs substantially better than pruning unless extreme quantization (2-bit) is used; and (d) Layer-wise quantization to lower bits works better in the case of larger LLMs with more layers compared to smaller LLMs with fewer layers. Our code is publicly available at https://github.com/RazvanDu/LayerwiseQuant/.

Serving transformer language models with high throughput requires caching Key-Values (KVs) to avoid redundant computation during autoregressive generation. The memory footprint of KV caching is significant and heavily impacts serving costs. This work proposes to lessen these memory requirements. While recent work has largely addressed KV cache reduction via compression and eviction along the temporal axis, we argue that the depth dimension offers an orthogonal and robust avenue for optimization. Although prior research suggests that a full cache for every layer is redundant, implementing cross-layer cache sharing remains a practical challenge; existing methods typically suffer from reduced throughput or increased time-to-first-token. In this paper, we demonstrate that dropping a layer's cache offers efficient optimization without information loss. We propose a simple training approach: random cross-layer attention. During training, layers randomly choose to attend either to their own KV states or those of a preceding layer. This stochastic process adapts the model to be robust to various depth-wise cache sharing strategies, ensuring flexibility for unknown hardware constraints at deployment time. Our evaluations show that applying this scheme during pre-training or fine-tuning enables depth-wise cache sharing for various model families. Furthermore, for larger models in data-constrained settings, this approach is suggestive of a regularization-like effect, frequently preserving or improving performance while significantly reducing the cache's memory footprint.

DeepRobust is a PyTorch adversarial learning library which aims to build a comprehensive and easy-to-use platform to foster this research field. It currently contains more than 10 attack algorithms and 8 defense algorithms in image domain and 9 attack algorithms and 4 defense algorithms in graph domain, under a variety of deep learning architectures. In this manual, we introduce the main contents of DeepRobust with detailed instructions. The library is kept updated and can be found at https://github.com/DSE-MSU/DeepRobust.

Traditional transformer models often allocate a fixed amount of computational resources to every input token, leading to inefficient and unnecessary computation. To address this, the Mixture of Depths (MoD) was introduced to dynamically adjust the computational depth by skipping less important layers. Despite its promise, current MoD approaches remain under-explored and face two main challenges: (1) high training costs due to the need to train the entire model along with the routers that determine which layers to skip, and (2) the risk of performance degradation when important layers are bypassed. In response to the first issue, we propose Router-Tuning, a method that fine-tunes only the router on a small dataset, drastically reducing the computational overhead associated with full model training. For the second challenge, we propose MindSkip, which deploys Attention with Dynamic Depths. This method preserves the model's performance while significantly enhancing computational and memory efficiency. Extensive experiments demonstrate that our approach delivers competitive results while dramatically improving the computation efficiency, e.g., 21\% speedup and only a 0.2\% performance drop. The code is released at https://github.com/CASE-Lab-UMD/Router-Tuning.

Information tasks such as writing surveys or analytical reports require complex search and reasoning, and have recently been grouped under the umbrella of deep research -- a term also adopted by recent models targeting these capabilities. Despite growing interest, the scope of the deep research task remains underdefined and its distinction from other reasoning-intensive problems is poorly understood. In this paper, we propose a formal characterization of the deep research (DR) task and introduce a benchmark to evaluate the performance of DR systems. We argue that the core defining feature of deep research is not the production of lengthy report-style outputs, but rather the high fan-out over concepts required during the search process, i.e., broad and reasoning-intensive exploration. To enable objective evaluation, we define DR using an intermediate output representation that encodes key claims uncovered during search-separating the reasoning challenge from surface-level report generation. Based on this formulation, we propose a diverse, challenging benchmark LiveDRBench with 100 challenging tasks over scientific topics (e.g., datasets, materials discovery, prior art search) and public interest events (e.g., flight incidents, movie awards). Across state-of-the-art DR systems, F1 score ranges between 0.02 and 0.72 for any sub-category. OpenAI's model performs the best with an overall F1 score of 0.55. Analysis of reasoning traces reveals the distribution over the number of referenced sources, branching, and backtracking events executed by current DR systems, motivating future directions for improving their search mechanisms and grounding capabilities. The benchmark is available at https://github.com/microsoft/LiveDRBench.

While computer science has seen remarkable advancements in foundation models, which remain underexplored in geoscience. Addressing this gap, we introduce a workflow to develop geophysical foundation models, including data preparation, model pre-training, and adaption to downstream tasks. From 192 globally collected 3-D seismic volumes, we create a carefully curated dataset of 2,286,422 2-D seismic images. Fully using these unlabeled images, we employ the self-supervised learning to pre-train a Transformer-based Seismic Foundation Model (SFM) for producing all-purpose seismic features that work across various tasks and surveys. Through experiments on seismic facies classification, geobody identification, interpolation, denoising, and inversion, our pre-trained model demonstrates versatility, generalization, scalability, and superior performance over baseline models. Conclusively, we provide a foundation model and vast dataset to advance AI in geophysics, addressing challenges (poor generalization, lacking labels, and repetitive training for task-specified models) of applying AI in geophysics and paving the way for future innovations in geoscience.

In recent years, applying deep learning to solve physics problems has attracted much attention. Data-driven deep learning methods produce fast numerical operators that can learn approximate solutions to the whole system of partial differential equations (i.e., surrogate modeling). Although these neural networks may have lower accuracy than traditional numerical methods, they, once trained, are orders of magnitude faster at inference. Hence, one crucial feature is that these operators can generalize to unseen PDE parameters without expensive re-training.In this paper, we construct CFDBench, a benchmark tailored for evaluating the generalization ability of neural operators after training in computational fluid dynamics (CFD) problems. It features four classic CFD problems: lid-driven cavity flow, laminar boundary layer flow in circular tubes, dam flows through the steps, and periodic Karman vortex street. The data contains a total of 302K frames of velocity and pressure fields, involving 739 cases with different operating condition parameters, generated with numerical methods. We evaluate the effectiveness of popular neural operators including feed-forward networks, DeepONet, FNO, U-Net, etc. on CFDBnech by predicting flows with non-periodic boundary conditions, fluid properties, and flow domain shapes that are not seen during training. Appropriate modifications were made to apply popular deep neural networks to CFDBench and enable the accommodation of more changing inputs. Empirical results on CFDBench show many baseline models have errors as high as 300% in some problems, and severe error accumulation when performing autoregressive inference. CFDBench facilitates a more comprehensive comparison between different neural operators for CFD compared to existing benchmarks.

We have seen in the past years the flourishing of machine and deep learning algorithms in several applications such as image classification and segmentation, object detection and recognition, among many others. This was only possible, in part, because datasets like ImageNet -- with +14 million labeled images -- were created and made publicly available, providing researches with a common ground to compare their advances and extend the state-of-the-art. Although we have seen an increasing interest in machine learning in geosciences as well, we will only be able to achieve a significant impact in our community if we collaborate to build such a common basis. This is even more difficult when it comes to the Oil&Gas industry, in which confidentiality and commercial interests often hinder the sharing of datasets with others. In this letter, we present the Penobscot interpretation dataset, our contribution to the development of machine learning in geosciences, more specifically in seismic interpretation. The Penobscot 3D seismic dataset was acquired in the Scotian shelf, offshore Nova Scotia, Canada. The data is publicly available and comprises pre- and pos-stack data, 5 horizons and well logs of 2 wells. However, for the dataset to be of practical use for our tasks, we had to reinterpret the seismic, generating 7 horizons separating different seismic facies intervals. The interpreted horizons were used to generated +100,000 labeled images for inlines and crosslines. To demonstrate the utility of our dataset, results of two experiments are presented.

Understanding how deep neural networks learn useful internal representations from data remains a central open problem in the theory of deep learning. We introduce Neural Low-Degree Filtering (Neural LoFi), a stylized limit of gradient-based training in which hierarchical feature learning becomes an explicit iterative spectral procedure. In this limit, the dynamics at each layer decouple: given the current representation, the next layer selects directions with maximal accessible low-degree correlation to the label. This yields a tractable surrogate mechanism for deep learning, together with a natural kernel-space interpretation. Neural LoFi provides a mathematically explicit framework for studying multi-layer feature learning beyond the lazy regime. It predicts how representations are selected layer by layer, explains how emergence of concepts arises with given sample complexity,and gives a concrete mechanism by which depth progressively constructs new features from old ones through low-degree compositionality. We complement the theory with mechanistic experiments on fully connected and convolutional architectures, showing that Neural LoFi improves over lazy random-feature baselines, recovers meaningful structured filters, and predicts representations aligned with early gradient-descent feature discovery with real datasets.

Deep learning employs multi-layer neural networks trained via the backpropagation algorithm. This approach has achieved success across many domains and relies on adaptive gradient methods such as the Adam optimizer. Sequence modeling evolved from recurrent neural networks to attention-based models, culminating in the Transformer architecture. Transformers have achieved state-of-the-art performance in natural language processing (for example, BERT and GPT-3) and have been applied in computer vision and computational biology. However, theoretical understanding of these models remains limited. In this paper, we examine the mathematical foundations of deep learning and Transformers and present a novel theoretical result. We review key concepts from linear algebra, probability, and optimization that underpin deep learning, and we analyze the multi-head self-attention mechanism and the backpropagation algorithm in detail. Our main contribution is a universal approximation theorem for Transformers: we prove that a single-layer Transformer, comprising one self-attention layer followed by a position-wise feed-forward network with ReLU activation, can approximate any continuous sequence-to-sequence mapping on a compact domain to arbitrary precision. We provide a formal statement and a complete proof. Finally, we present case studies that demonstrate the practical implications of this result. Our findings advance the theoretical understanding of Transformer models and help bridge the gap between theory and practice.

In the upcoming decade, deep learning may revolutionize the natural sciences, enhancing our capacity to model and predict natural occurrences. This could herald a new era of scientific exploration, bringing significant advancements across sectors from drug development to renewable energy. To answer this call, we present DeepSpeed4Science initiative (deepspeed4science.ai) which aims to build unique capabilities through AI system technology innovations to help domain experts to unlock today's biggest science mysteries. By leveraging DeepSpeed's current technology pillars (training, inference and compression) as base technology enablers, DeepSpeed4Science will create a new set of AI system technologies tailored for accelerating scientific discoveries by addressing their unique complexity beyond the common technical approaches used for accelerating generic large language models (LLMs). In this paper, we showcase the early progress we made with DeepSpeed4Science in addressing two of the critical system challenges in structural biology research.

In this paper, we introduce the Curse of Depth, a concept that highlights, explains, and addresses the recent observation in modern Large Language Models(LLMs) where nearly half of the layers are less effective than expected. We first confirm the wide existence of this phenomenon across the most popular families of LLMs such as Llama, Mistral, DeepSeek, and Qwen. Our analysis, theoretically and empirically, identifies that the underlying reason for the ineffectiveness of deep layers in LLMs is the widespread usage of Pre-Layer Normalization (Pre-LN). While Pre-LN stabilizes the training of Transformer LLMs, its output variance exponentially grows with the model depth, which undesirably causes the derivative of the deep Transformer blocks to be an identity matrix, and therefore barely contributes to the training. To resolve this training pitfall, we propose LayerNorm Scaling, which scales the variance of output of the layer normalization inversely by the square root of its depth. This simple modification mitigates the output variance explosion of deeper Transformer layers, improving their contribution. Our experimental results, spanning model sizes from 130M to 1B, demonstrate that LayerNorm Scaling significantly enhances LLM pre-training performance compared to Pre-LN. Moreover, this improvement seamlessly carries over to supervised fine-tuning. All these gains can be attributed to the fact that LayerNorm Scaling enables deeper layers to contribute more effectively during training.

Large Language Models (LLMs) encounter significant challenges in continual learning due to catastrophic forgetting, where new information overwrites previously acquired knowledge. This limitation leads to substantial environmental and economic waste. In this study, we introduce the PMoE, Progressive Mixture of Experts with Asymmetric Transformer, which aims to minimize forgetting by utilizing an asymmetric design with shallow layers dedicated to general knowledge and deep layers for new knowledge. PMoE incorporates progressively added experts in deep layers and a router that allocates new knowledge to the appropriate experts efficiently. The router, positioned adjacent to the deep layers, utilizes deep features aggregating consolidated information. This enables the router to perform efficiently, allocating new knowledge to the appropriate experts, which progressively increase in the deep layers. Extensive experiments on TRACE datasets and general language understanding datasets demonstrate that the proposed PMoE outperforms previous state-of-the-art approaches.

Deep feedforward and recurrent networks have achieved impressive results in many perception and language processing applications. This success is partially attributed to architectural innovations such as convolutional and long short-term memory networks. The main motivation for these architectural innovations is that they capture better domain knowledge, and importantly are easier to optimize than more basic architectures. Recently, more complex architectures such as Neural Turing Machines and Memory Networks have been proposed for tasks including question answering and general computation, creating a new set of optimization challenges. In this paper, we discuss a low-overhead and easy-to-implement technique of adding gradient noise which we find to be surprisingly effective when training these very deep architectures. The technique not only helps to avoid overfitting, but also can result in lower training loss. This method alone allows a fully-connected 20-layer deep network to be trained with standard gradient descent, even starting from a poor initialization. We see consistent improvements for many complex models, including a 72% relative reduction in error rate over a carefully-tuned baseline on a challenging question-answering task, and a doubling of the number of accurate binary multiplication models learned across 7,000 random restarts. We encourage further application of this technique to additional complex modern architectures.

The paper presents the third data release of Hyper Suprime-Cam Subaru Strategic Program (HSC-SSP), a wide-field multi-band imaging survey with the Subaru 8.2m telescope. HSC-SSP has three survey layers (Wide, Deep, and UltraDeep) with different area coverages and depths, designed to address a wide array of astrophysical questions. This third release from HSC-SSP includes data from 278 nights of observing time and covers about 670 square degrees in all five broad-band filters at the full depth (sim26~mag at 5σ) in the Wide layer. If we include partially observed area, the release covers 1,470 square degrees. The Deep and UltraDeep layers have sim80% of the originally planned integration times, and are considered done, as we have slightly changed the observing strategy in order to compensate for various time losses. There are a number of updates in the image processing pipeline. Of particular importance is the change in the sky subtraction algorithm; we subtract the sky on small scales before the detection and measurement stages, which has significantly reduced false detections. Thanks to this and other updates, the overall quality of the processed data has improved since the previous release. However, there are limitations in the data (for example, the pipeline is not optimized for crowded fields), and we encourage the user to check the quality assurance plots as well as a list of known issues before exploiting the data. The data release website is https://hsc-release.mtk.nao.ac.jp/.

The application of superconducting materials is becoming more and more widespread. Traditionally, the discovery of new superconducting materials relies on the experience of experts and a large number of "trial and error" experiments, which not only increases the cost of experiments but also prolongs the period of discovering new superconducting materials. In recent years, machine learning has been increasingly applied to materials science. Based on this, this manuscript proposes the use of XGBoost model to identify superconductors; the first application of deep forest model to predict the critical temperature of superconductors; the first application of deep forest to predict the band gap of materials; and application of a new sub-network model to predict the Fermi energy level of materials. Compared with our known similar literature, all the above algorithms reach state-of-the-art. Finally, this manuscript uses the above models to search the COD public dataset and identify 50 candidate superconducting materials with possible critical temperature greater than 90 K.

Deep neural networks are widely used for classification. These deep models often suffer from a lack of interpretability -- they are particularly difficult to understand because of their non-linear nature. As a result, neural networks are often treated as "black box" models, and in the past, have been trained purely to optimize the accuracy of predictions. In this work, we create a novel network architecture for deep learning that naturally explains its own reasoning for each prediction. This architecture contains an autoencoder and a special prototype layer, where each unit of that layer stores a weight vector that resembles an encoded training input. The encoder of the autoencoder allows us to do comparisons within the latent space, while the decoder allows us to visualize the learned prototypes. The training objective has four terms: an accuracy term, a term that encourages every prototype to be similar to at least one encoded input, a term that encourages every encoded input to be close to at least one prototype, and a term that encourages faithful reconstruction by the autoencoder. The distances computed in the prototype layer are used as part of the classification process. Since the prototypes are learned during training, the learned network naturally comes with explanations for each prediction, and the explanations are loyal to what the network actually computes.

With the ever-increasing volumes of the Earth observation data present in the archives of large programmes such as Copernicus, there is a growing need for efficient vector representations of the underlying raw data. The approach of extracting feature representations from pretrained deep neural networks is a powerful approach that can provide semantic abstractions of the input data. However, the way this is done for imagery archives containing geospatial data has not yet been defined. In this work, an extension is proposed to an existing community project, Major TOM, focused on the provision and standardization of open and free AI-ready datasets for Earth observation. Furthermore, four global and dense embedding datasets are released openly and for free along with the publication of this manuscript, resulting in the most comprehensive global open dataset of geospatial visual embeddings in terms of covered Earth's surface.

This review gives an overview of the development of machine learning in geoscience. A thorough analysis of the co-developments of machine learning applications throughout the last 70 years relates the recent enthusiasm for machine learning to developments in geoscience. I explore the shift of kriging towards a mainstream machine learning method and the historic application of neural networks in geoscience, following the general trend of machine learning enthusiasm through the decades. Furthermore, this chapter explores the shift from mathematical fundamentals and knowledge in software development towards skills in model validation, applied statistics, and integrated subject matter expertise. The review is interspersed with code examples to complement the theoretical foundations and illustrate model validation and machine learning explainability for science. The scope of this review includes various shallow machine learning methods, e.g. Decision Trees, Random Forests, Support-Vector Machines, and Gaussian Processes, as well as, deep neural networks, including feed-forward neural networks, convolutional neural networks, recurrent neural networks and generative adversarial networks. Regarding geoscience, the review has a bias towards geophysics but aims to strike a balance with geochemistry, geostatistics, and geology, however excludes remote sensing, as this would exceed the scope. In general, I aim to provide context for the recent enthusiasm surrounding deep learning with respect to research, hardware, and software developments that enable successful application of shallow and deep machine learning in all disciplines of Earth science.

The transformer architecture by Vaswani et al. (2017) is now ubiquitous across application domains, from natural language processing to speech processing and image understanding. We propose DenseFormer, a simple modification to the standard architecture that improves the perplexity of the model without increasing its size -- adding a few thousand parameters for large-scale models in the 100B parameters range. Our approach relies on an additional averaging step after each transformer block, which computes a weighted average of current and past representations -- we refer to this operation as Depth-Weighted-Average (DWA). The learned DWA weights exhibit coherent patterns of information flow, revealing the strong and structured reuse of activations from distant layers. Experiments demonstrate that DenseFormer is more data efficient, reaching the same perplexity of much deeper transformer models, and that for the same perplexity, these new models outperform transformer baselines in terms of memory efficiency and inference time.

Despite their nearly universal adoption for large language models, the internal workings of transformers are not well understood. We aim to better understand the impact of removing or reorganizing information throughout the layers of a pretrained transformer. Such an understanding could both yield better usage of existing models as well as to make architectural improvements to produce new variants. We present a series of empirical studies on frozen models that show that the lower and final layers of pretrained transformers differ from middle layers, but that middle layers have a surprising amount of uniformity. We further show that some classes of problems have robustness to skipping layers, running the layers in an order different from how they were trained, or running the layers in parallel. Our observations suggest that even frozen pretrained models may gracefully trade accuracy for latency by skipping layers or running layers in parallel.

Set representation has become ubiquitous in deep learning for modeling the inductive bias of neural networks that are insensitive to the input order. DeepSets is the most widely used neural network architecture for set representation. It involves embedding each set element into a latent space with dimension L, followed by a sum pooling to obtain a whole-set embedding, and finally mapping the whole-set embedding to the output. In this work, we investigate the impact of the dimension L on the expressive power of DeepSets. Previous analyses either oversimplified high-dimensional features to be one-dimensional features or were limited to analytic activations, thereby diverging from practical use or resulting in L that grows exponentially with the set size N and feature dimension D. To investigate the minimal value of L that achieves sufficient expressive power, we present two set-element embedding layers: (a) linear + power activation (LP) and (b) linear + exponential activations (LE). We demonstrate that L being poly(N, D) is sufficient for set representation using both embedding layers. We also provide a lower bound of L for the LP embedding layer. Furthermore, we extend our results to permutation-equivariant set functions and the complex field.

Can a pretrained neural network adapt its architecture to different inputs without any finetuning? Do we need all layers for simple tasks, and are they adequate for challenging tasks? We found that the layers of a pretrained large language model (LLM) can be manipulated as separate modules to build a better and even shallower model customized for each test sample. In particular, each layer from the pretrained model can be skipped/pruned or repeated multiple times as recurrent neural networks (RNN), and stacked with others in arbitrary orders, yielding a chain-of-layers (CoLa) per sample. This compositional space greatly expands the scope of existing works on looped/recurrent pretrained modules, layer pruning, or early-exit networks. We develop a Monte Carlo Tree Search (MCTS) protocol to explore and identify the optimal CoLa for each sample from math and commonsense reasoning benchmarks. Compared to a static model of a fixed depth, CoLa allows shortcut paths (fast thinking), recurrence of the same layer(s) (slow thinking), and combining both, offering more flexible, dynamic architectures for different inputs. We conduct an extensive analysis of the MCTS-optimized CoLa, which leads to two key findings: (1) For >75% of samples with correct predictions by the original LLM, we can find shorter CoLa, suggesting a large space for improving inference efficiency; (2) For >60% of samples with originally incorrect predictions, we can identify CoLa achieving correct predictions, suggesting a large space of performance enhancement. Our results highlight the shortcomings of using a fixed architecture of pre-trained LLMs for inference on different samples and pave the way to unlock the generalization power of test-time depth adaptation.

Long-context reasoning is a critical capability of large language models (LLMs), enabling applications such as long-document understanding, summarization, and code generation. However, efficient autoregressive inference relies on the key-value (KV) cache, whose memory footprint grows linearly with sequence length, leading to a major memory bottleneck. To mitigate this overhead, KV cache pruning methods discard cached tokens with low attention scores during inference. Most existing methods apply a uniform pruning ratio across layers, implicitly assuming that all layers contribute equally to overall model performance. We show that this assumption is suboptimal, as layers differ significantly in their sensitivity to pruning. We propose DepthKV, a layer-dependent pruning framework that allocates a fixed global KV budget across layers based on their sensitivity, rather than using a uniform allocation. Across multiple models and tasks, DepthKV consistently outperforms uniform pruning at the same global pruning ratio, demonstrating more effective utilization of the KV cache budget through layer-dependent allocation.

We present LayerSkip, an end-to-end solution to speed-up inference of large language models (LLMs). First, during training we apply layer dropout, with low dropout rates for earlier layers and higher dropout rates for later layers, and an early exit loss where all transformer layers share the same exit. Second, during inference, we show that this training recipe increases the accuracy of early exit at earlier layers, without adding any auxiliary layers or modules to the model. Third, we present a novel self-speculative decoding solution where we exit at early layers and verify and correct with remaining layers of the model. Our proposed self-speculative decoding approach has less memory footprint than other speculative decoding approaches and benefits from shared compute and activations of the draft and verification stages. We run experiments on different Llama model sizes on different types of training: pretraining from scratch, continual pretraining, finetuning on specific data domain, and finetuning on specific task. We implement our inference solution and show speedups of up to 2.16x on summarization for CNN/DM documents, 1.82x on coding, and 2.0x on TOPv2 semantic parsing task. We open source our code and checkpoints at https://github.com/facebookresearch/LayerSkip.

For humans, language production and comprehension is sensitive to the hierarchical structure of sentences. In natural language processing, past work has questioned how effectively neural sequence models like transformers capture this hierarchical structure when generalizing to structurally novel inputs. We show that transformer language models can learn to generalize hierarchically after training for extremely long periods -- far beyond the point when in-domain accuracy has saturated. We call this phenomenon structural grokking. On multiple datasets, structural grokking exhibits inverted U-shaped scaling in model depth: intermediate-depth models generalize better than both very deep and very shallow transformers. When analyzing the relationship between model-internal properties and grokking, we find that optimal depth for grokking can be identified using the tree-structuredness metric of murty2023projections. Overall, our work provides strong evidence that, with extended training, vanilla transformers discover and use hierarchical structure.

Foundation models are premised on the idea that sequence prediction can uncover deeper domain understanding, much like how Kepler's predictions of planetary motion later led to the discovery of Newtonian mechanics. However, evaluating whether these models truly capture deeper structure remains a challenge. We develop a technique for evaluating foundation models that examines how they adapt to synthetic datasets generated from some postulated world model. Our technique measures whether the foundation model's inductive bias aligns with the world model, and so we refer to it as an inductive bias probe. Across multiple domains, we find that foundation models can excel at their training tasks yet fail to develop inductive biases towards the underlying world model when adapted to new tasks. We particularly find that foundation models trained on orbital trajectories consistently fail to apply Newtonian mechanics when adapted to new physics tasks. Further analysis reveals that these models behave as if they develop task-specific heuristics that fail to generalize.

Seismic processing transforms raw data into subsurface images essential for geophysical applications. Traditional methods face challenges, such as noisy data, and manual parameter tuning, among others. Recently deep learning approaches have proposed alternative solutions to some of these problems. However, important challenges of existing deep learning approaches are spatially inconsistent results across neighboring seismic gathers and lack of user-control. We address these limitations by introducing ContextSeisNet, an in-context learning model, to seismic demultiple processing. Our approach conditions predictions on a support set of spatially related example pairs: neighboring common-depth point gathers from the same seismic line and their corresponding labels. This allows the model to learn task-specific processing behavior at inference time by observing how similar gathers should be processed, without any retraining. This method provides both flexibility through user-defined examples and improved lateral consistency across seismic lines. On synthetic data, ContextSeisNet outperforms a U-Net baseline quantitatively and demonstrates enhanced spatial coherence between neighboring gathers. On field data, our model achieves superior lateral consistency compared to both traditional Radon demultiple and the U-Net baseline. Relative to the U-Net, ContextSeisNet also delivers improved near-offset performance and more complete multiple removal. Notably, ContextSeisNet achieves comparable field data performance despite being trained on 90% less data, demonstrating substantial data efficiency. These results establish ContextSeisNet as a practical approach for spatially consistent seismic demultiple with potential applicability to other seismic processing tasks.

Advancements in Large Language Models (LLMs) drive interest in scientific applications, necessitating specialized benchmarks such as Earth science. Existing benchmarks either present a general science focus devoid of Earth science specificity or cover isolated subdomains, lacking holistic evaluation. Furthermore, current benchmarks typically neglect the assessment of LLMs' capabilities in open-ended scientific exploration. In this paper, we present a comprehensive and professional benchmark for the Earth sciences, designed to evaluate the capabilities of LLMs in scientific exploration within this domain, spanning from fundamental to advanced levels. Leveraging a corpus of 100,000 research papers, we first construct two Question Answering (QA) datasets: Earth-Iron, which offers extensive question coverage for broad assessment, and Earth-Silver, which features a higher level of difficulty to evaluate professional depth. These datasets encompass five Earth spheres, 114 disciplines, and 11 task categories, assessing foundational knowledge crucial for scientific exploration. Most notably, we introduce Earth-Gold with new metrics, a dataset comprising open-ended multi-turn dialogues specifically designed to evaluate the advanced capabilities of LLMs in scientific exploration, including methodology induction, limitation analysis, and concept proposal. Extensive experiments reveal limitations in 11 leading LLMs across different domains and tasks, highlighting considerable room for improvement in their scientific exploration capabilities. The benchmark is available on https://huggingface.co/ai-earth .

We present the NCS-models, a family of seismic foundation models pretrained on a large share of full-stack seismic cubes from the Norwegian Continental Shelf (NCS) available through the public DISKOS database. The model weights are open-sourced for the wider geoscience community. Foundation models trained with large-scale self-supervision are emerging as a promising basis for automatic seismic interpretation. However, most existing seismic models rely on limited or proprietary datasets, and it remains unclear how well natural-image foundation models transfer to seismic data. Our goals are to develop basin-scale seismic foundation models, provide practical recipes for scalable 3D training, and quantify the effects of basin-targeted pretraining and token dimensionality on downstream interpretation performance. Using masked autoencoders with Vision Transformer backbones, we pretrain models on a DISKOS-derived corpus of 3D time- and depth-migrated seismic volumes. The NCS-model variants use 2D, 2.5D multi-view, and 3D tokenization within a matched training setup. Transfer is evaluated on interpretation benchmarks using frozen backbones and a simple k-nearest neighbor classifier. Baselines include an ImageNet-pretrained MAE, a frontier vision foundation model, and a globally pretrained seismic model. Natural-image pretrained models do not reliably transfer, reflecting the large domain gap between natural images and seismic data. Seismic pretraining is necessary for robust transfer, and large-scale basin-targeted pretraining yields further gains over a smaller globally pretrained seismic baseline. The NCS-models achieve the best overall performance without fine-tuning, while 2.5D tokenization offers the strongest accuracy-efficiency tradeoff and the embeddings support similarity search for interactive interpretation.

Recent studies have observed that intermediate layers of foundation models often yield more discriminative representations than the final layer. While initially attributed to autoregressive pretraining, this phenomenon has also been identified in models trained via supervised and discriminative self-supervised objectives. In this paper, we conduct a comprehensive study to analyze the behavior of intermediate layers in pretrained vision transformers. Through extensive linear probing experiments across a diverse set of image classification benchmarks, we find that distribution shift between pretraining and downstream data is the primary cause of performance degradation in deeper layers. Furthermore, we perform a fine-grained analysis at the module level. Our findings reveal that standard probing of transformer block outputs is suboptimal; instead, probing the activation within the feedforward network yields the best performance under significant distribution shift, whereas the normalized output of the multi-head self-attention module is optimal when the shift is weak.

Deep Learning has been one of the most disruptive technological advancements in recent times. The high performance of deep learning models comes at the expense of high computational, storage and power requirements. Sensing the immediate need for accelerating and compressing these models to improve on-device performance, we introduce Deeplite Neutrino for production-ready optimization of the models and Deeplite Runtime for deployment of ultra-low bit quantized models on Arm-based platforms. We implement low-level quantization kernels for Armv7 and Armv8 architectures enabling deployment on the vast array of 32-bit and 64-bit Arm-based devices. With efficient implementations using vectorization, parallelization, and tiling, we realize speedups of up to 2x and 2.2x compared to TensorFlow Lite with XNNPACK backend on classification and detection models, respectively. We also achieve significant speedups of up to 5x and 3.2x compared to ONNX Runtime for classification and detection models, respectively.

The rapid progress of Transformers in artificial intelligence has come at the cost of increased resource consumption and greenhouse gas emissions due to growing model sizes. Prior work suggests using pretrained small models to improve training efficiency, but this approach may not be suitable for new model structures. On the other hand, training from scratch can be slow, and progressively stacking layers often fails to achieve significant acceleration. To address these challenges, we propose a novel method called Apollo, which prepares lessons for expanding operations by learning high-layer functionality during training of low layers. Our approach involves low-value-prioritized sampling (LVPS) to train different depths and weight sharing to facilitate efficient expansion. We also introduce an interpolation method for stable model depth extension. Experiments demonstrate that Apollo achieves state-of-the-art acceleration ratios, even rivaling methods using pretrained models, making it a universal and efficient solution for training deep models while reducing time, financial, and environmental costs.

Deep learning expresses a category of machine learning algorithms that have the capability to combine raw inputs into intermediate features layers. These deep learning algorithms have demonstrated great results in different fields. Deep learning has particularly witnessed for a great achievement of human level performance across a number of domains in computer vision and pattern recognition. For the achievement of state-of-the-art performances in diverse domains, the deep learning used different architectures and these architectures used activation functions to perform various computations between hidden and output layers of any architecture. This paper presents a survey on the existing studies of deep learning in handwriting recognition field. Even though the recent progress indicates that the deep learning methods has provided valuable means for speeding up or proving accurate results in handwriting recognition, but following from the extensive literature survey, the present study finds that the deep learning has yet to revolutionize more and has to resolve many of the most pressing challenges in this field, but promising advances have been made on the prior state of the art. Additionally, an inadequate availability of labelled data to train presents problems in this domain. Nevertheless, the present handwriting recognition survey foresees deep learning enabling changes at both bench and bedside with the potential to transform several domains as image processing, speech recognition, computer vision, machine translation, robotics and control, medical imaging, medical information processing, bio-informatics, natural language processing, cyber security, and many others.

While depth tends to improve network performances, it also makes gradient-based training more difficult since deeper networks tend to be more non-linear. The recently proposed knowledge distillation approach is aimed at obtaining small and fast-to-execute models, and it has shown that a student network could imitate the soft output of a larger teacher network or ensemble of networks. In this paper, we extend this idea to allow the training of a student that is deeper and thinner than the teacher, using not only the outputs but also the intermediate representations learned by the teacher as hints to improve the training process and final performance of the student. Because the student intermediate hidden layer will generally be smaller than the teacher's intermediate hidden layer, additional parameters are introduced to map the student hidden layer to the prediction of the teacher hidden layer. This allows one to train deeper students that can generalize better or run faster, a trade-off that is controlled by the chosen student capacity. For example, on CIFAR-10, a deep student network with almost 10.4 times less parameters outperforms a larger, state-of-the-art teacher network.

As Large Language Models (LLMs) achieve remarkable empirical success through scaling model and data size, pretraining has become increasingly critical yet computationally prohibitive, hindering rapid development. Despite the availability of numerous pretrained LLMs developed at significant computational expense, a fundamental real-world question remains underexplored: Can we leverage existing small pretrained models to accelerate the training of larger models? In this paper, we propose a Late-to-Early Training (LET) paradigm that enables LLMs to explicitly learn later knowledge in earlier steps and earlier layers. The core idea is to guide the early layers of an LLM during early training using representations from the late layers of a pretrained (i.e. late training phase) model. We identify two key mechanisms that drive LET's effectiveness: late-to-early-step learning and late-to-early-layer learning. These mechanisms significantly accelerate training convergence while robustly enhancing both language modeling capabilities and downstream task performance, enabling faster training with superior performance. Extensive experiments on 1.4B and 7B parameter models demonstrate LET's efficiency and effectiveness. Notably, when training a 1.4B LLM on the Pile dataset, our method achieves up to 1.6times speedup with nearly 5\% improvement in downstream task accuracy compared to standard training, even when using a pretrained model with 10times fewer parameters than the target model.

We view large language models (LLMs) as stochastic language layers in a network, where the learnable parameters are the natural language prompts at each layer. We stack two such layers, feeding the output of one layer to the next. We call the stacked architecture a Deep Language Network (DLN). We first show how to effectively perform prompt optimization for a 1-Layer language network (DLN-1). We then show how to train 2-layer DLNs (DLN-2), where two prompts must be learnt. We consider the output of the first layer as a latent variable to marginalize, and devise a variational inference algorithm for joint prompt training. A DLN-2 reaches higher performance than a single layer, sometimes comparable to few-shot GPT-4 even when each LLM in the network is smaller and less powerful. The DLN code is open source: https://github.com/microsoft/deep-language-networks .

The use of modern Natural Language Processing (NLP) techniques has shown to be beneficial for software engineering tasks, such as vulnerability detection and type inference. However, training deep NLP models requires significant computational resources. This paper explores techniques that aim at achieving the best usage of resources and available information in these models. We propose a generic approach, EarlyBIRD, to build composite representations of code from the early layers of a pre-trained transformer model. We empirically investigate the viability of this approach on the CodeBERT model by comparing the performance of 12 strategies for creating composite representations with the standard practice of only using the last encoder layer. Our evaluation on four datasets shows that several early layer combinations yield better performance on defect detection, and some combinations improve multi-class classification. More specifically, we obtain a +2 average improvement of detection accuracy on Devign with only 3 out of 12 layers of CodeBERT and a 3.3x speed-up of fine-tuning. These findings show that early layers can be used to obtain better results using the same resources, as well as to reduce resource usage during fine-tuning and inference.

Deep learning has been actively applied to time series forecasting, leading to a deluge of new methods, belonging to the class of historical-value models. Yet, despite the attractive properties of time-index models, such as being able to model the continuous nature of underlying time series dynamics, little attention has been given to them. Indeed, while naive deep time-index models are far more expressive than the manually predefined function representations of classical time-index models, they are inadequate for forecasting, being unable to generalize to unseen time steps due to the lack of inductive bias. In this paper, we propose DeepTime, a meta-optimization framework to learn deep time-index models which overcome these limitations, yielding an efficient and accurate forecasting model. Extensive experiments on real world datasets in the long sequence time-series forecasting setting demonstrate that our approach achieves competitive results with state-of-the-art methods, and is highly efficient. Code is available at https://github.com/salesforce/DeepTime.

Deep Learning using the eponymous deep neural networks (DNNs) has become an attractive approach towards various data-based problems of theoretical physics in the past decade. There has been a clear trend to deeper architectures containing increasingly more powerful and involved layers. Contrarily, Taylor coefficients of DNNs still appear mainly in the light of interpretability studies, where they are computed at most to first order. However, especially in theoretical physics numerous problems benefit from accessing higher orders, as well. This gap motivates a general formulation of neural network (NN) Taylor expansions. Restricting our analysis to multilayer perceptrons (MLPs) and introducing quantities we refer to as propagators and vertices, both depending on the MLP's weights and biases, we establish a graph-theoretical approach. Similarly to Feynman rules in quantum field theories, we can systematically assign diagrams containing propagators and vertices to the corresponding partial derivative. Examining this approach for S-wave scattering lengths of shallow potentials, we observe NNs to adapt their derivatives mainly to the leading order of the target function's Taylor expansion. To circumvent this problem, we propose an iterative NN perturbation theory. During each iteration we eliminate the leading order, such that the next-to-leading order can be faithfully learned during the subsequent iteration. After performing two iterations, we find that the first- and second-order Born terms are correctly adapted during the respective iterations. Finally, we combine both results to find a proxy that acts as a machine-learned second-order Born approximation.

Self-supervised geospatial foundation models (GeoFMs) learn transferable representations from remote sensing data, but their downstream behavior is difficult to characterize. We study six representative GeoFMs spanning joint-embedding, reconstruction, and multimodal pretraining families, and evaluate transfer across classification, regression, and segmentation benchmarks under different label availability and downstream pipelines. We find that model rankings change across tasks and adaptation settings. Layerwise probing shows that, in most cases, task-relevant information is more accessible in intermediate transformer blocks compared to final-layer embeddings, and that GeoFMs exhibit distinct depthwise profiles. In segmentation case studies on PASTIS and Sen1Floods11, downstream adaptation settings such as decoder design and fine-tuning can be as impactful as the choice of GeoFM, and standard dense-prediction heads may be poorly aligned with how GeoFMs organize information over depth. Finally, CKA analysis on case studies shows that fine-tuning does not rewrite GeoFMs uniformly across depth, and the strongest changes are localized to the first linear layer of the MLP in ViT blocks. These results help explain why GeoFM rankings shift across benchmarks and motivate more representation-aware evaluation and adaptation strategies.

Several recent Transformer architectures expose later layers to representations computed in the earliest layers, motivated by the observation that low-level features can become harder to recover as the residual stream is repeatedly transformed through depth. The cheapest among these methods add static value residuals: learned mixing coefficients that expose the first-layer value projection V_1 uniformly across tokens and heads. More expressive dense or dynamic alternatives recover finer-grained access, but at higher memory cost and lower throughput. The usefulness of V_1 is unlikely to be constant across tokens, heads, and contexts; different positions plausibly require different amounts of access to early lexical or semantic information. We therefore treat early-representation reuse as a retrieval problem rather than a connectivity problem, and introduce Selective Access Transformer (SATFormer), which preserves the first-layer value pathway while controlling access with a context-dependent gate. Across models from 130M to 1.3B parameters, SATFormer consistently improves validation loss and zero-shot accuracy over the static value-residual and Transformer baselines. Its strongest gains appear on retrieval-intensive benchmarks, where it improves over static value residuals by approximately 1.5 average points, while maintaining throughput and memory usage close to the baseline Transformer. Gate analyses suggest sparse, depth-dependent, head-specific, and category-sensitive access patterns, supporting the interpretation that SATFormer learns selective reuse of early representations rather than uniform residual copying. Our code is available at https://github.com/SkyeGunasekaran/SATFormer.

The inference phase of Large Language Models (LLMs) is very expensive. An ideal inference stage of LLMs could utilize fewer computational resources while still maintaining its capabilities (e.g., generalization and in-context learning ability). In this paper, we try to answer the question, "During LLM inference, can we use shallow layers for easy instances; and deep layers for hard ones?" To answer this question, we first indicate that Not all Layers are Necessary during Inference by statistically analyzing the activated layers across tasks. Then, we propose a simple algorithm named AdaInfer to determine the inference termination moment based on the input instance adaptively. More importantly, AdaInfer does not alter LLM parameters and maintains generalizability across tasks. Experiments on well-known LLMs (i.e., Llama2 series and OPT) show that AdaInfer saves an average of 14.8% of computational resources, even up to 50% on sentiment tasks, while maintaining comparable performance. Additionally, this method is orthogonal to other model acceleration techniques, potentially boosting inference efficiency further.

Deep neural networks (DNNs) have been shown to outperform traditional machine learning algorithms in a broad variety of application domains due to their effectiveness in modeling complex problems and handling high-dimensional datasets. Many real-life datasets, however, are of increasingly high dimensionality, where a large number of features may be irrelevant for both supervised and unsupervised learning tasks. The inclusion of such features would not only introduce unwanted noise but also increase computational complexity. Furthermore, due to high non-linearity and dependency among a large number of features, DNN models tend to be unavoidably opaque and perceived as black-box methods because of their not well-understood internal functioning. Their algorithmic complexity is often simply beyond the capacities of humans to understand the interplay among myriads of hyperparameters. A well-interpretable model can identify statistically significant features and explain the way they affect the model's outcome. In this paper, we propose an efficient method to improve the interpretability of black-box models for classification tasks in the case of high-dimensional datasets. First, we train a black-box model on a high-dimensional dataset to learn the embeddings on which the classification is performed. To decompose the inner working principles of the black-box model and to identify top-k important features, we employ different probing and perturbing techniques. We then approximate the behavior of the black-box model by means of an interpretable surrogate model on the top-k feature space. Finally, we derive decision rules and local explanations from the surrogate model to explain individual decisions. Our approach outperforms state-of-the-art methods like TabNet and XGboost when tested on different datasets with varying dimensionality between 50 and 20,000 w.r.t metrics and explainability.

We consider supervised learning with n labels and show that layerwise SGD on residual networks can efficiently learn a class of hierarchical models. This model class assumes the existence of an (unknown) label hierarchy L_1 subseteq L_2 subseteq dots subseteq L_r = [n], where labels in L_1 are simple functions of the input, while for i > 1, labels in L_i are simple functions of simpler labels. Our class surpasses models that were previously shown to be learnable by deep learning algorithms, in the sense that it reaches the depth limit of efficient learnability. That is, there are models in this class that require polynomial depth to express, whereas previous models can be computed by log-depth circuits. Furthermore, we suggest that learnability of such hierarchical models might eventually form a basis for understanding deep learning. Beyond their natural fit for domains where deep learning excels, we argue that the mere existence of human ``teachers" supports the hypothesis that hierarchical structures are inherently available. By providing granular labels, teachers effectively reveal ``hints'' or ``snippets'' of the internal algorithms used by the brain. We formalize this intuition, showing that in a simplified model where a teacher is partially aware of their internal logic, a hierarchical structure emerges that facilitates efficient learnability.

Deep neural networks (DNNs) have shown exceptional performance when trained on well-illuminated images captured by Electro-Optical (EO) cameras, which provide rich texture details. However, in critical applications like aerial perception, it is essential for DNNs to maintain consistent reliability across all conditions, including low-light scenarios where EO cameras often struggle to capture sufficient detail. Additionally, UAV-based aerial object detection faces significant challenges due to scale variability from varying altitudes and slant angles, adding another layer of complexity. Existing methods typically address only illumination changes or style variations as domain shifts, but in aerial perception, correlation shifts also impact DNN performance. In this paper, we introduce the IndraEye dataset, a multi-sensor (EO-IR) dataset designed for various tasks. It includes 5,612 images with 145,666 instances, encompassing multiple viewing angles, altitudes, seven backgrounds, and different times of the day across the Indian subcontinent. The dataset opens up several research opportunities, such as multimodal learning, domain adaptation for object detection and segmentation, and exploration of sensor-specific strengths and weaknesses. IndraEye aims to advance the field by supporting the development of more robust and accurate aerial perception systems, particularly in challenging conditions. IndraEye dataset is benchmarked with object detection and semantic segmentation tasks. Dataset and source codes are available at https://bit.ly/indraeye.

Mimicking realistic dynamics in 3D garment animations is a challenging task due to the complex nature of multi-layered garments and the variety of outer forces involved. Existing approaches mostly focus on single-layered garments driven by only human bodies and struggle to handle general scenarios. In this paper, we propose a novel data-driven method, called LayersNet, to model garment-level animations as particle-wise interactions in a micro physics system. We improve simulation efficiency by representing garments as patch-level particles in a two-level structural hierarchy. Moreover, we introduce a novel Rotation Equivalent Transformation that leverages the rotation invariance and additivity of physics systems to better model outer forces. To verify the effectiveness of our approach and bridge the gap between experimental environments and real-world scenarios, we introduce a new challenging dataset, D-LAYERS, containing 700K frames of dynamics of 4,900 different combinations of multi-layered garments driven by both human bodies and randomly sampled wind. Our experiments show that LayersNet achieves superior performance both quantitatively and qualitatively. We will make the dataset and code publicly available at https://mmlab-ntu.github.io/project/layersnet/index.html .

Multilingual Machine Translation promises to improve translation quality between non-English languages. This is advantageous for several reasons, namely lower latency (no need to translate twice), and reduced error cascades (e.g., avoiding losing gender and formality information when translating through English). On the downside, adding more languages reduces model capacity per language, which is usually countered by increasing the overall model size, making training harder and inference slower. In this work, we introduce Language-Specific Transformer Layers (LSLs), which allow us to increase model capacity, while keeping the amount of computation and the number of parameters used in the forward pass constant. The key idea is to have some layers of the encoder be source or target language-specific, while keeping the remaining layers shared. We study the best way to place these layers using a neural architecture search inspired approach, and achieve an improvement of 1.3 chrF (1.5 spBLEU) points over not using LSLs on a separate decoder architecture, and 1.9 chrF (2.2 spBLEU) on a shared decoder one.

We propose Adaptive Integrated Layered Attention (AILA), a neural network architecture that combines dense skip connections with different mechanisms for adaptive feature reuse across network layers. We evaluate AILA on three challenging tasks: price forecasting for various commodities and indices (S&P 500, Gold, US dollar Futures, Coffee, Wheat), image recognition using the CIFAR-10 dataset, and sentiment analysis on the IMDB movie review dataset. In all cases, AILA matches strong deep learning baselines (LSTMs, Transformers, and ResNets), achieving it at a fraction of the training and inference time. Notably, we implement and test two versions of the model - AILA-Architecture 1, which uses simple linear layers as the connection mechanism between layers, and AILA-Architecture 2, which implements an attention mechanism to selectively focus on outputs from previous layers. Both architectures are applied in a single-task learning setting, with each model trained separately for individual tasks. Results confirm that AILA's adaptive inter-layer connections yield robust gains by flexibly reusing pertinent features at multiple network depths. The AILA approach thus presents an extension to existing architectures, improving long-range sequence modeling, image recognition with optimised computational speed, and SOTA classification performance in practice.

Previous work has showcased the intriguing capability of large language models (LLMs) in retrieving facts and processing context knowledge. However, only limited research exists on the layer-wise capability of LLMs to encode knowledge, which challenges our understanding of their internal mechanisms. In this paper, we devote the first attempt to investigate the layer-wise capability of LLMs through probing tasks. We leverage the powerful generative capability of ChatGPT to construct probing datasets, providing diverse and coherent evidence corresponding to various facts. We employ mathcal V-usable information as the validation metric to better reflect the capability in encoding context knowledge across different layers. Our experiments on conflicting and newly acquired knowledge show that LLMs: (1) prefer to encode more context knowledge in the upper layers; (2) primarily encode context knowledge within knowledge-related entity tokens at lower layers while progressively expanding more knowledge within other tokens at upper layers; and (3) gradually forget the earlier context knowledge retained within the intermediate layers when provided with irrelevant evidence. Code is publicly available at https://github.com/Jometeorie/probing_llama.

Deep learning in general domains has constantly been extended to domain-specific tasks requiring the recognition of fine-grained characteristics. However, real-world applications for fine-grained tasks suffer from two challenges: a high reliance on expert knowledge for annotation and necessity of a versatile model for various downstream tasks in a specific domain (e.g., prediction of categories, bounding boxes, or pixel-wise annotations). Fortunately, the recent self-supervised learning (SSL) is a promising approach to pretrain a model without annotations, serving as an effective initialization for any downstream tasks. Since SSL does not rely on the presence of annotation, in general, it utilizes the large-scale unlabeled dataset, referred to as an open-set. In this sense, we introduce a novel Open-Set Self-Supervised Learning problem under the assumption that a large-scale unlabeled open-set is available, as well as the fine-grained target dataset, during a pretraining phase. In our problem setup, it is crucial to consider the distribution mismatch between the open-set and target dataset. Hence, we propose SimCore algorithm to sample a coreset, the subset of an open-set that has a minimum distance to the target dataset in the latent space. We demonstrate that SimCore significantly improves representation learning performance through extensive experimental settings, including eleven fine-grained datasets and seven open-sets in various downstream tasks.

Deep classifiers are known to be sensitive to data distribution shifts, primarily due to their reliance on spurious correlations in training data. It has been suggested that these classifiers can still find useful features in the network's last layer that hold up under such shifts. In this work, we question the use of last-layer representations for out-of-distribution (OOD) generalisation and explore the utility of intermediate layers. To this end, we introduce Intermediate Layer Classifiers (ILCs). We discover that intermediate layer representations frequently offer substantially better generalisation than those from the penultimate layer. In many cases, zero-shot OOD generalisation using earlier-layer representations approaches the few-shot performance of retraining on penultimate layer representations. This is confirmed across multiple datasets, architectures, and types of distribution shifts. Our analysis suggests that intermediate layers are less sensitive to distribution shifts compared to the penultimate layer. These findings highlight the importance of understanding how information is distributed across network layers and its role in OOD generalisation, while also pointing to the limits of penultimate layer representation utility. Code is available at https://github.com/oshapio/intermediate-layer-generalization

Recently, large reasoning models have demonstrated strong mathematical and coding abilities, and deep search leverages their reasoning capabilities in challenging information retrieval tasks. Existing deep search works are generally limited to a single knowledge source, either local or the Web. However, enterprises often require private deep search systems that can leverage search tools over both local and the Web corpus. Simply training an agent equipped with multiple search tools using flat reinforcement learning (RL) is a straightforward idea, but it has problems such as low training data efficiency and poor mastery of complex tools. To address the above issue, we propose a hierarchical agentic deep search framework, HierSearch, trained with hierarchical RL. At the low level, a local deep search agent and a Web deep search agent are trained to retrieve evidence from their corresponding domains. At the high level, a planner agent coordinates low-level agents and provides the final answer. Moreover, to prevent direct answer copying and error propagation, we design a knowledge refiner that filters out hallucinations and irrelevant evidence returned by low-level agents. Experiments show that HierSearch achieves better performance compared to flat RL, and outperforms various deep search and multi-source retrieval-augmented generation baselines in six benchmarks across general, finance, and medical domains.

Cancer is a complex disease, the understanding and treatment of which are being aided through increases in the volume of collected data and in the scale of deployed computing power. Consequently, there is a growing need for the development of data-driven and, in particular, deep learning methods for various tasks such as cancer diagnosis, detection, prognosis, and prediction. Despite recent successes, however, designing high-performing deep learning models for nonimage and nontext cancer data is a time-consuming, trial-and-error, manual task that requires both cancer domain and deep learning expertise. To that end, we develop a reinforcement-learning-based neural architecture search to automate deep-learning-based predictive model development for a class of representative cancer data. We develop custom building blocks that allow domain experts to incorporate the cancer-data-specific characteristics. We show that our approach discovers deep neural network architectures that have significantly fewer trainable parameters, shorter training time, and accuracy similar to or higher than those of manually designed architectures. We study and demonstrate the scalability of our approach on up to 1,024 Intel Knights Landing nodes of the Theta supercomputer at the Argonne Leadership Computing Facility.

Hybrid language models combine softmax attention with linear-time sequence mechanisms such as state-space or linear-attention layers, but the functional contribution of each component type remains insufficiently characterized. We study component-level ablation in two sub-1B hybrid language models, Qwen3.5-0.8B and Falcon-H1-0.5B, using likelihood-based evaluation, downstream benchmarks, layer-wise interventions, random controls, and representation-level diagnostics. Across the tested models, removing either attention or the alternative sequence-processing pathway substantially degrades performance, indicating that both component types contribute to model behavior. Likelihood metrics are especially sensitive to the linear-attention or state-space pathway, while downstream benchmark degradation depends on task and architecture. Layer-wise ablations show that component importance is position-dependent, with the strongest effects concentrated in early or mid-network components rather than uniformly across depth. Random-removal controls further show that hybrid architectures and same-family Transformer baselines degrade differently under structural perturbation. These results suggest that component ablation is a useful diagnostic for understanding hybrid language model architectures. The findings provide evidence relevant to efficient model design, compression, robustness analysis, and deployment decisions in architectures that combine attention with alternative sequence-processing mechanisms.

This paper introduces DeepFlow, a scalable and serverless AI platform designed to efficiently serve large language models (LLMs) at scale in cloud environments. DeepFlow addresses key challenges such as resource allocation, serving efficiency, and cold start latencies through four main design components. First, it uses a simple serverless abstraction called the request-job-task model, which helps manage AI workloads across post-training and model serving tasks. Second, it builds an in-house serving engine FlowServe using a microkernel-inspired design, NPU-centric execution, and SPMD-based parallelism to optimize LLM serving. The system also includes novel scheduling policies tailored for both PD-disaggregated and PD-colocated configurations. With optimizations like pre-warmed pods, DRAM pre-loading, and NPU-fork, DeepFlow can scale up to 64 instances in seconds. DeepFlow has been in production for over a year, operating on a large Ascend NPU cluster and providing industrystandard APIs for fine-tuning, agent serving, and model serving to our customers.

In this work, we present a novel physics-based data-driven framework for reduced-order modeling of laser ignition in a model rocket combustor based on parameterized neural ordinary differential equations (PNODE). Deep neural networks are embedded as functions of high-dimensional parameters of laser ignition to predict various terms in a 0D flow model including the heat source function, pre-exponential factors, and activation energy. Using the governing equations of a 0D flow model, our PNODE needs only a limited number of training samples and predicts trajectories of various quantities such as temperature, pressure, and mass fractions of species while satisfying physical constraints. We validate our physics-based PNODE on solution snapshots of high-fidelity Computational Fluid Dynamics (CFD) simulations of laser-induced ignition in a prototype rocket combustor. We compare the performance of our physics-based PNODE with that of kernel ridge regression and fully connected neural networks. Our results show that our physics-based PNODE provides solutions with lower mean absolute errors of average temperature over time, thus improving the prediction of successful laser ignition with high-dimensional parameters.

Dense retrieval models usually adopt vectors from the last hidden layer of the document encoder to represent a document, which is in contrast to the fact that representations in different layers of a pre-trained language model usually contain different kinds of linguistic knowledge, and behave differently during fine-tuning. Therefore, we propose to investigate utilizing representations from multiple encoder layers to make up the representation of a document, which we denote Multi-layer Representations (MLR). We first investigate how representations in different layers affect MLR's performance under the multi-vector retrieval setting, and then propose to leverage pooling strategies to reduce multi-vector models to single-vector ones to improve retrieval efficiency. Experiments demonstrate the effectiveness of MLR over dual encoder, ME-BERT and ColBERT in the single-vector retrieval setting, as well as demonstrate that it works well with other advanced training techniques such as retrieval-oriented pre-training and hard negative mining.

Deep research agents have shown remarkable potential in handling long-horizon tasks. However, state-of-the-art performance typically relies on online reinforcement learning (RL), which is financially expensive due to extensive API calls. While offline training offers a more efficient alternative, its progress is hindered by the scarcity of high-quality research trajectories. In this paper, we demonstrate that expensive online reinforcement learning is not all you need to build powerful research agents. To bridge this gap, we introduce a fully open-source suite designed for effective offline training. Our core contributions include DeepForge, a ready-to-use task synthesis framework that generates large-scale research queries without heavy preprocessing; and a curated collection of 66k QA pairs, 33k SFT trajectories, and 21k DPO pairs. Leveraging these resources, we train OffSeeker (8B), a model developed entirely offline. Extensive evaluations across six benchmarks show that OffSeeker not only leads among similar-sized agents but also remains competitive with 30B-parameter systems trained via heavy online RL.

In this paper, we address post-training quantization (PTQ) for large language models (LLMs) from an overlooked perspective: given a pre-trained high-precision LLM, the predominant sequential quantization framework treats different layers equally, but this may be not optimal in challenging bit-width settings. We empirically study the quantization impact of different layers on model accuracy, and observe that: (1) shallow/deep layers are usually more sensitive to quantization than intermediate layers; (2) among shallow/deep layers, the most sensitive one is the first/last layer, which exhibits significantly larger quantization error than others. These empirical observations imply that the quantization design for different layers of LLMs is required on multiple levels instead of a single level shared to all layers. Motivated by this, we propose a new PTQ framework termed Sliding-layer Quantization (SliderQuant) that relies on a simple adaptive sliding quantization concept facilitated by few learnable parameters. The base component of SliderQuant is called inter-layer sliding quantization, which incorporates three types of novel sliding window designs tailored for addressing the varying quantization sensitivity of shallow, intermediate and deep layers. The other component is called intra-layer sliding quantization that leverages an incremental strategy to quantize each window. As a result, SliderQuant has a strong ability to reduce quantization errors across layers. Extensive experiments on basic language generation, zero-shot commonsense reasoning and challenging math and code tasks with various LLMs, including Llama/Llama2/Llama3/Qwen2.5 model families, DeepSeek-R1 distilled models and large MoE models, show that our method outperforms existing PTQ methods (including the latest PTQ methods using rotation transformations) for both weight-only quantization and weight-activation quantization.

Transformer architectures serve as the backbone for most modern Large Language Models, therefore their pretraining stability and convergence speed are of central concern. Motivated by the logical dependency of sequentially stacked layers, we propose Progressive Residual Warmup (ProRes) for language model pretraining. ProRes implements an "early layer learns first" philosophy by multiplying each layer's residual with a scalar that gradually warms up from 0 to 1, with deeper layers taking longer warmup steps. In this way, deeper layers wait for early layers to settle into a more stable regime before contributing to learning. We demonstrate the effectiveness of ProRes through pretraining experiments across various model scales, as well as normalization and initialization schemes. Comprehensive analysis shows that ProRes not only stabilizes pretraining but also introduces a unique optimization trajectory, leading to faster convergence, stronger generalization and better downstream performance. Our code is available at https://github.com/dandingsky/ProRes.